#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3iv8 s MET 1 N 0.00 4.14 0.19 0.00 1.00 -1.26 -4.57 119.30 118.80 3iv8 s MET 1 Ca 0.00 0.95 -0.10 0.00 0.00 0.00 0.00 55.69 56.54 3iv8 s MET 1 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 34.83 32.56 3iv8 s MET 1 CO 0.00 0.03 0.34 1.52 0.00 0.00 0.00 175.02 176.91 3iv8 s TYR 2 N -2.12 0.37 -0.05 -0.03 -0.85 -1.06 -4.15 117.35 109.46 3iv8 s TYR 2 Ca 0.59 -0.72 0.03 0.00 -0.52 0.00 0.00 57.07 56.44 3iv8 s TYR 2 Cb -0.09 0.02 0.01 0.00 0.38 0.00 0.00 41.96 42.27 3iv8 s TYR 2 CO 0.15 -0.79 -0.12 0.00 -1.52 0.00 0.00 175.55 173.27 3iv8 s ALA 3 N -3.98 1.16 0.08 9.51 0.00 0.16 -0.95 121.76 127.74 3iv8 s ALA 3 Ca 0.18 -0.43 -0.26 0.00 0.00 0.00 0.00 51.96 51.45 3iv8 s ALA 3 Cb 0.02 -0.46 -0.06 0.00 0.00 0.00 0.00 23.12 22.62 3iv8 s ALA 3 CO 0.02 0.16 0.81 -0.51 0.00 0.00 0.00 175.76 176.23 3iv8 s LEU 4 N 0.37 4.49 0.10 0.00 1.02 0.34 0.12 118.68 125.12 3iv8 s LEU 4 Ca -0.08 1.55 -0.14 0.00 0.02 0.00 0.00 54.13 55.49 3iv8 s LEU 4 Cb -0.12 -3.32 0.02 0.00 0.02 0.00 0.00 46.19 42.79 3iv8 s LEU 4 CO 0.02 0.03 0.33 0.28 0.02 0.00 0.00 176.35 177.03 3iv8 s THR 5 N -0.24 0.09 -1.24 5.49 -1.32 -0.94 -1.25 115.64 116.23 3iv8 s THR 5 Ca 0.40 -0.76 -0.14 0.00 -1.21 0.00 0.00 61.69 59.98 3iv8 s THR 5 Cb -0.22 -1.19 -0.00 0.00 -1.51 0.00 0.00 72.50 69.58 3iv8 s THR 5 CO 0.25 -0.42 0.65 -3.20 -2.21 0.00 0.00 174.62 169.69 3iv8 n ASN 6 N -0.09 -3.37 -4.18 8.08 5.15 -1.26 -1.05 115.26 118.54 3iv8 n ASN 6 Ca -0.16 -1.03 -0.11 0.00 -0.60 0.00 0.00 54.58 52.68 3iv8 n ASN 6 Cb 0.63 -3.15 -0.10 0.00 -0.53 0.00 0.00 39.78 36.63 3iv8 n ASN 6 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iv8 s LYS 8 N -4.07 4.16 -0.18 0.00 2.20 -0.46 -4.35 119.74 117.04 3iv8 s LYS 8 Ca 0.30 0.21 -0.08 0.00 -0.36 0.00 0.00 55.97 56.05 3iv8 s LYS 8 Cb 0.07 -3.55 -0.04 0.00 -1.51 0.00 0.00 37.83 32.80 3iv8 s LYS 8 CO 0.06 -0.08 0.07 0.42 -0.36 0.00 0.00 175.35 175.46 3iv8 s ILE 9 N 1.43 4.83 -0.58 5.43 1.01 -0.69 0.66 121.20 133.28 3iv8 s ILE 9 Ca 0.19 -0.02 -0.03 0.00 0.00 0.00 0.00 60.65 60.79 3iv8 s ILE 9 Cb -0.15 -3.17 0.15 0.00 0.01 0.00 0.00 42.46 39.30 3iv8 s ILE 9 CO 0.08 0.46 0.40 -0.31 0.00 0.00 0.00 174.94 175.57 3iv8 s TYR 10 N 0.33 3.44 -0.19 3.97 2.02 0.83 -0.88 117.35 126.88 3iv8 s TYR 10 Ca 0.04 -2.64 0.29 0.00 -0.37 0.00 0.00 57.07 54.38 3iv8 s TYR 10 Cb -0.12 -3.21 1.07 0.00 -0.40 0.00 0.00 41.96 39.29 3iv8 s TYR 10 CO -0.00 -0.87 1.84 1.79 -1.57 0.00 0.00 175.55 176.74 3iv8 h THR 11 N 5.49 0.00 0.00 -0.71 1.35 -1.49 -3.38 112.91 114.18 3iv8 h THR 11 Ca -0.04 -0.52 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3iv8 h THR 11 Cb 0.97 1.46 0.00 0.00 -1.73 0.00 0.00 68.15 68.85 3iv8 h THR 11 CO 0.71 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.59 3iv8 n GLY 12 N 0.30 3.09 0.04 5.82 0.00 -1.26 -1.46 105.19 111.72 3iv8 n GLY 12 Ca 0.02 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 3iv8 n GLY 12 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3iv8 n ASN 13 N 0.00 3.38 -3.98 1.61 3.02 -1.26 -5.02 115.26 113.00 3iv8 n ASN 13 Ca 0.00 -0.02 -0.09 0.00 -0.03 0.00 0.00 54.58 54.44 3iv8 n ASN 13 Cb 0.00 0.34 -0.10 0.00 -0.61 0.00 0.00 39.78 39.41 3iv8 n ASN 13 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 3iv8 s ASP 14 N -4.20 0.26 -0.34 6.41 1.11 -1.26 -5.12 116.67 113.52 3iv8 s ASP 14 Ca -0.06 -0.61 -0.11 0.00 0.18 0.00 0.00 52.55 51.95 3iv8 s ASP 14 Cb 0.02 0.18 0.01 0.00 1.07 0.00 0.00 42.92 44.20 3iv8 s ASP 14 CO 0.24 -0.46 0.19 -0.69 1.18 0.00 0.00 175.17 175.63 3iv8 s VAL 15 N -2.49 4.68 -0.16 -1.27 1.01 -1.26 -1.36 120.40 119.54 3iv8 s VAL 15 Ca -0.06 -0.59 -0.06 0.00 0.00 0.00 0.00 61.98 61.27 3iv8 s VAL 15 Cb -0.02 -3.49 -0.04 0.00 0.00 0.00 0.00 36.38 32.84 3iv8 s VAL 15 CO -0.04 -0.08 0.03 -0.76 0.00 0.00 0.00 175.10 174.24 3iv8 s LEU 16 N 1.60 3.62 0.17 3.92 1.02 -0.06 -4.95 118.68 124.01 3iv8 s LEU 16 Ca 0.04 0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.26 3iv8 s LEU 16 Cb -0.18 -1.89 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 3iv8 s LEU 16 CO 0.07 0.20 0.22 -0.69 0.02 0.00 0.00 176.35 176.17 3iv8 s VAL 17 N 0.18 4.88 -1.64 -1.59 1.01 -1.26 -1.70 120.40 120.28 3iv8 s VAL 17 Ca 0.02 -0.94 -0.18 0.00 0.00 0.00 0.00 61.98 60.89 3iv8 s VAL 17 Cb -0.13 -3.53 0.15 0.00 0.00 0.00 0.00 36.38 32.88 3iv8 s VAL 17 CO 0.01 -0.14 0.75 0.29 0.00 0.00 0.00 175.10 176.02 3iv8 n LYS 18 N -0.58 -3.19 -4.22 2.72 5.02 -1.26 -4.96 118.16 111.69 3iv8 n LYS 18 Ca -0.08 0.38 -0.27 0.00 -2.02 0.00 0.00 58.31 56.32 3iv8 n LYS 18 Cb 0.55 -5.11 -0.05 0.00 -0.02 0.00 0.00 35.03 30.39 3iv8 n LYS 18 CO 0.00 0.00 0.00 0.72 -0.52 0.00 0.00 177.40 177.60 3iv8 n HIS 19 N -4.30 0.90 -3.97 2.13 8.25 -1.26 -2.88 115.22 114.09 3iv8 n HIS 19 Ca 0.07 -2.11 -0.08 0.00 -0.26 0.00 0.00 57.72 55.34 3iv8 n HIS 19 Cb 0.49 -0.29 -0.09 0.00 1.12 0.00 0.00 29.99 31.23 3iv8 n HIS 19 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 3iv8 s ALA 20 N -2.74 0.10 -0.12 -1.41 0.00 0.54 -4.26 121.76 113.88 3iv8 s ALA 20 Ca 0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 51.96 51.12 3iv8 s ALA 20 Cb -0.00 0.35 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 3iv8 s ALA 20 CO 0.01 -0.42 -0.11 0.08 0.00 0.00 0.00 175.76 175.32 3iv8 s VAL 21 N -3.65 3.23 -0.22 0.00 1.01 -0.38 -1.94 120.40 118.46 3iv8 s VAL 21 Ca 0.04 -0.60 -0.17 0.00 0.00 0.00 0.00 61.98 61.25 3iv8 s VAL 21 Cb 0.05 -2.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.03 3iv8 s VAL 21 CO -0.09 0.53 0.44 -0.63 0.00 0.00 0.00 175.10 175.34 3iv8 s ILE 22 N 0.19 5.16 -0.19 2.22 1.01 -0.29 -0.51 121.20 128.79 3iv8 s ILE 22 Ca -0.07 0.77 -0.07 0.00 0.00 0.00 0.00 60.65 61.28 3iv8 s ILE 22 Cb -0.15 -3.76 -0.04 0.00 0.01 0.00 0.00 42.46 38.52 3iv8 s ILE 22 CO 0.05 0.20 0.06 -0.63 0.00 0.00 0.00 174.94 174.61 3iv8 s ILE 23 N 1.61 4.66 -0.28 2.92 1.09 -0.13 0.80 121.20 131.87 3iv8 s ILE 23 Ca 0.20 -0.08 0.01 0.00 -1.10 0.00 0.00 60.65 59.69 3iv8 s ILE 23 Cb -0.15 -3.11 0.08 0.00 -1.06 0.00 0.00 42.46 38.22 3iv8 s ILE 23 CO 0.09 0.44 0.01 0.21 -0.10 0.00 0.00 174.94 175.59 3iv8 s ASN 24 N 0.57 4.17 1.33 3.58 3.04 -0.19 -2.56 114.94 124.88 3iv8 s ASN 24 Ca 0.03 -1.58 0.00 0.00 0.04 0.00 0.00 52.86 51.34 3iv8 s ASN 24 Cb -0.13 -1.24 0.00 0.00 -1.54 0.00 0.00 41.25 38.34 3iv8 s ASN 24 CO 0.01 -0.32 0.00 0.61 -3.04 0.00 0.00 177.10 174.36 3iv8 n GLY 25 N 4.59 1.38 0.08 1.21 0.00 -1.26 -2.19 105.19 109.00 3iv8 n GLY 25 Ca -0.05 0.15 0.01 0.00 0.00 0.00 0.00 46.02 46.13 3iv8 n GLY 25 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3iv8 n ASP 26 N 10.30 2.06 -4.47 1.61 5.75 -1.25 -4.00 116.55 126.55 3iv8 n ASP 26 Ca 0.00 -1.95 -0.30 0.00 -0.01 0.00 0.00 54.79 52.53 3iv8 n ASP 26 Cb 0.00 -0.03 -0.12 0.00 -1.03 0.00 0.00 41.12 39.94 3iv8 n ASP 26 CO 0.00 0.00 0.00 -0.54 -0.11 0.00 0.00 177.20 176.55 3iv8 s LYS 27 N -0.95 1.90 -0.21 0.11 -0.14 -0.93 -0.96 119.74 118.56 3iv8 s LYS 27 Ca 0.03 -1.10 -0.29 0.00 -1.36 0.00 0.00 55.97 53.25 3iv8 s LYS 27 Cb 0.01 -2.14 -0.02 0.00 -1.68 0.00 0.00 37.83 34.00 3iv8 s LYS 27 CO 0.02 0.51 1.54 0.42 -0.76 0.00 0.00 175.35 177.07 3iv8 s ILE 28 N -1.04 3.81 -0.02 2.17 1.01 -0.00 -1.02 121.20 126.11 3iv8 s ILE 28 Ca 0.16 0.93 -0.24 0.00 0.00 0.00 0.00 60.65 61.49 3iv8 s ILE 28 Cb -0.11 -3.78 -0.18 0.00 0.01 0.00 0.00 42.46 38.41 3iv8 s ILE 28 CO 0.08 -0.28 1.18 -0.33 0.00 0.00 0.00 174.94 175.59 3iv8 h GLU 29 N 10.12 -0.18 -2.07 2.79 4.39 0.06 -0.03 114.58 129.66 3iv8 h GLU 29 Ca -0.32 0.01 0.16 0.00 0.34 0.00 0.00 59.36 59.55 3iv8 h GLU 29 Cb 1.14 0.04 -0.15 0.00 -0.10 0.00 0.00 28.75 29.68 3iv8 h GLU 29 CO 1.00 0.22 0.58 0.00 -1.16 0.00 0.00 179.01 179.65 3iv8 s ALA 30 N -4.38 -1.88 -0.13 3.43 0.00 -1.22 -4.58 121.76 113.00 3iv8 s ALA 30 Ca -0.14 1.05 0.02 0.00 0.00 0.00 0.00 51.96 52.89 3iv8 s ALA 30 Cb 0.02 0.31 0.01 0.00 0.00 0.00 0.00 23.12 23.46 3iv8 s ALA 30 CO 0.58 -0.71 -0.19 0.08 0.00 0.00 0.00 175.76 175.52 3iv8 s VAL 31 N -2.95 1.81 0.13 0.00 1.01 -1.26 -1.14 120.40 118.00 3iv8 s VAL 31 Ca 0.07 -0.82 -0.16 0.00 0.00 0.00 0.00 61.98 61.06 3iv8 s VAL 31 Cb -0.01 -1.63 0.04 0.00 0.00 0.00 0.00 36.38 34.78 3iv8 s VAL 31 CO -0.07 0.50 0.41 0.00 0.00 0.00 0.00 175.10 175.94 3iv8 s PRO 33 N -3.81 3.32 0.26 0.00 0.02 -1.26 -0.34 135.00 133.20 3iv8 s PRO 33 Ca 0.03 2.20 -0.05 0.00 0.02 0.00 0.00 61.00 63.21 3iv8 s PRO 33 Cb 0.02 -2.35 0.31 0.00 0.02 0.00 0.00 34.50 32.50 3iv8 s PRO 33 CO -0.12 -1.04 1.93 -0.84 -0.33 0.00 0.00 177.00 176.60 3iv8 h ILE 34 N 1.65 1.25 -0.10 2.83 3.07 -1.78 0.47 117.51 124.89 3iv8 h ILE 34 Ca -0.51 -0.47 0.03 0.00 1.55 0.00 0.00 64.86 65.46 3iv8 h ILE 34 Cb 1.29 -0.12 -0.00 0.00 -0.27 0.00 0.00 36.82 37.71 3iv8 h ILE 34 CO 0.58 0.24 0.27 1.05 -1.05 0.00 0.00 178.15 179.24 3iv8 h GLU 35 N 1.28 0.00 -0.01 0.16 4.11 -1.90 -2.18 114.58 116.03 3iv8 h GLU 35 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.77 3iv8 h GLU 35 Cb -0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.13 3iv8 h GLU 35 CO -0.07 0.00 -0.01 0.43 0.07 0.00 0.00 179.01 179.43 3iv8 n SER 36 N -3.23 1.16 -4.73 3.06 7.64 0.16 -4.91 113.62 112.77 3iv8 n SER 36 Ca -0.00 -1.35 -0.42 0.00 1.01 0.00 0.00 58.87 58.11 3iv8 n SER 36 Cb 0.35 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.52 3iv8 n SER 36 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3iv8 s LEU 37 N -2.03 4.41 0.12 -3.43 1.43 -0.82 -4.97 118.68 113.38 3iv8 s LEU 37 Ca 0.39 2.19 -0.35 0.00 -1.03 0.00 0.00 54.13 55.33 3iv8 s LEU 37 Cb 0.21 -3.59 -0.15 0.00 0.03 0.00 0.00 46.19 42.68 3iv8 s LEU 37 CO 0.35 -0.46 1.46 -2.65 0.23 0.00 0.00 176.35 175.28 3iv8 n PRO 38 N 3.23 1.63 0.13 1.29 -0.02 -1.26 -4.83 135.00 135.16 3iv8 n PRO 38 Ca 0.07 0.59 0.12 0.00 -2.02 0.00 0.00 63.50 62.26 3iv8 n PRO 38 Cb 0.45 -2.29 0.64 0.00 -0.02 0.00 0.00 33.50 32.27 3iv8 n PRO 38 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3iv8 h SER 39 N 5.26 0.05 -0.39 2.55 4.64 -1.96 -1.81 113.55 121.89 3iv8 h SER 39 Ca -0.46 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 3iv8 h SER 39 Cb 1.30 -0.01 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 3iv8 h SER 39 CO 0.83 0.03 0.00 -1.84 -0.87 0.00 0.00 176.83 174.99 3iv8 n GLU 40 N -4.48 3.58 -3.43 4.77 0.00 -1.26 -4.94 120.64 114.89 3iv8 n GLU 40 Ca 0.03 -2.10 -0.38 0.00 0.00 0.00 0.00 57.16 54.70 3iv8 n GLU 40 Cb 0.29 -2.00 -0.06 0.00 0.00 0.00 0.00 31.44 29.66 3iv8 n GLU 40 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.13 178.54 3iv8 s MET 41 N -2.16 4.01 0.15 3.44 1.75 -0.68 -5.04 119.30 120.76 3iv8 s MET 41 Ca 0.36 0.51 -0.31 0.00 -1.25 0.00 0.00 55.69 55.00 3iv8 s MET 41 Cb 0.28 -3.21 -0.10 0.00 2.84 0.00 0.00 34.83 34.64 3iv8 s MET 41 CO 0.11 0.67 1.59 1.21 -0.65 0.00 0.00 175.02 177.95 3iv8 s ASN 42 N -1.13 6.58 -0.02 1.11 2.47 -1.26 -4.89 114.94 117.80 3iv8 s ASN 42 Ca 0.26 2.61 0.07 0.00 0.42 0.00 0.00 52.86 56.22 3iv8 s ASN 42 Cb -0.17 -2.59 -0.02 0.00 -1.45 0.00 0.00 41.25 37.02 3iv8 s ASN 42 CO 0.15 -0.84 -0.21 0.68 -3.72 0.00 0.00 177.10 173.16 3iv8 s VAL 43 N 1.40 1.67 -0.42 -5.21 -7.23 -1.26 0.39 120.40 109.75 3iv8 s VAL 43 Ca 0.71 -0.91 -0.08 0.00 -1.81 0.00 0.00 61.98 59.89 3iv8 s VAL 43 Cb -0.43 -1.39 0.09 0.00 0.56 0.00 0.00 36.38 35.20 3iv8 s VAL 43 CO 0.31 0.47 0.25 -0.69 -0.31 0.00 0.00 175.10 175.13 3iv8 s VAL 44 N -0.50 4.00 -0.39 1.32 1.01 0.12 -4.89 120.40 121.06 3iv8 s VAL 44 Ca 0.08 -1.56 -0.28 0.00 0.00 0.00 0.00 61.98 60.23 3iv8 s VAL 44 Cb -0.08 -3.51 -0.02 0.00 0.00 0.00 0.00 36.38 32.77 3iv8 s VAL 44 CO -0.01 -0.55 1.87 -0.62 0.00 0.00 0.00 175.10 175.80 3iv8 s ASP 45 N 2.10 5.65 0.00 3.32 2.15 -1.26 -2.23 116.67 126.40 3iv8 s ASP 45 Ca 0.04 1.12 0.11 0.00 0.43 0.00 0.00 52.55 54.24 3iv8 s ASP 45 Cb -0.23 -2.52 0.38 0.00 -0.30 0.00 0.00 42.92 40.24 3iv8 s ASP 45 CO 0.00 -1.94 1.28 0.18 -0.17 0.00 0.00 175.17 174.53 3iv8 n LEU 46 N 11.23 1.23 -2.73 -1.34 4.77 -0.21 -4.94 117.00 125.01 3iv8 n LEU 46 Ca 0.24 -0.59 -0.21 0.00 -0.03 0.00 0.00 56.01 55.42 3iv8 n LEU 46 Cb 0.48 -0.14 0.03 0.00 -2.33 0.00 0.00 43.42 41.47 3iv8 n LEU 46 CO 0.69 0.29 -0.02 -3.20 -1.33 0.00 0.00 177.39 173.82 3iv8 n ASN 47 N 0.13 -5.78 -0.02 -1.43 4.05 -1.13 -2.25 115.26 108.82 3iv8 n ASN 47 Ca 0.10 -0.24 -0.00 0.00 0.45 0.00 0.00 54.58 54.88 3iv8 n ASN 47 Cb 0.21 -4.62 -0.00 0.00 1.23 0.00 0.00 39.78 36.60 3iv8 n ASN 47 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 3iv8 n GLY 48 N -1.43 0.45 3.59 8.20 0.00 0.12 -5.03 105.19 111.09 3iv8 n GLY 48 Ca -0.12 -0.09 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 3iv8 n GLY 48 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 s ALA 49 N -1.89 0.40 0.08 4.61 0.00 -0.96 -4.55 121.76 119.45 3iv8 s ALA 49 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 51.96 51.75 3iv8 s ALA 49 Cb 0.00 -3.26 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 3iv8 s ALA 49 CO 0.00 -3.27 0.62 -0.80 0.00 0.00 0.00 175.76 172.31 3iv8 s ASN 50 N -2.80 7.12 -0.10 0.00 -0.87 0.12 -1.35 114.94 117.06 3iv8 s ASN 50 Ca 0.67 1.33 0.02 0.00 -1.57 0.00 0.00 52.86 53.31 3iv8 s ASN 50 Cb -0.23 -2.39 -0.02 0.00 -0.02 0.00 0.00 41.25 38.59 3iv8 s ASN 50 CO 0.61 0.22 -0.15 -0.22 -2.57 0.00 0.00 177.10 174.98 3iv8 s LEU 51 N -0.89 2.61 0.19 0.60 2.96 0.21 -1.67 118.68 122.69 3iv8 s LEU 51 Ca 0.31 -0.33 -0.16 0.00 -0.22 0.00 0.00 54.13 53.74 3iv8 s LEU 51 Cb -0.20 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 44.96 3iv8 s LEU 51 CO 0.20 0.22 0.47 -0.94 -1.32 0.00 0.00 176.35 174.99 3iv8 s SER 52 N -0.00 -0.21 0.66 3.68 1.04 -0.60 -0.12 113.70 118.15 3iv8 s SER 52 Ca -0.05 -0.54 -0.18 0.00 0.48 0.00 0.00 55.95 55.67 3iv8 s SER 52 Cb -0.14 0.55 -0.01 0.00 0.10 0.00 0.00 66.02 66.52 3iv8 s SER 52 CO 0.04 -1.01 1.28 -2.65 0.98 0.00 0.00 173.24 171.88 3iv8 n PRO 53 N -0.31 1.06 -1.81 4.02 -0.02 -1.26 -0.47 135.00 136.21 3iv8 n PRO 53 Ca -0.10 0.42 -0.36 0.00 -2.02 0.00 0.00 63.50 61.44 3iv8 n PRO 53 Cb 0.63 -2.52 0.06 0.00 -0.02 0.00 0.00 33.50 31.64 3iv8 n PRO 53 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 3iv8 s GLY 54 N -1.41 2.68 0.12 -1.23 0.00 -0.21 -4.27 107.32 103.00 3iv8 s GLY 54 Ca 0.82 1.03 -0.30 0.00 0.00 0.00 0.00 44.72 46.27 3iv8 s GLY 54 CO 0.41 1.43 0.96 -1.36 0.00 0.00 0.00 173.10 174.55 3iv8 s PHE 55 N -1.63 3.82 -0.39 1.90 0.08 -0.61 -4.72 117.98 116.42 3iv8 s PHE 55 Ca 0.78 1.81 -0.10 0.00 0.12 0.00 0.00 56.93 59.53 3iv8 s PHE 55 Cb -0.32 -3.05 0.05 0.00 -0.57 0.00 0.00 43.02 39.12 3iv8 s PHE 55 CO 0.38 0.21 0.22 0.42 -0.10 0.00 0.00 175.22 176.35 3iv8 s ILE 56 N -0.08 4.44 -0.32 0.64 1.01 -0.05 -1.48 121.20 125.36 3iv8 s ILE 56 Ca 0.47 -1.06 -0.18 0.00 0.00 0.00 0.00 60.65 59.88 3iv8 s ILE 56 Cb -0.24 -3.56 -0.01 0.00 0.01 0.00 0.00 42.46 38.66 3iv8 s ILE 56 CO 0.30 -0.33 0.51 -0.62 0.00 0.00 0.00 174.94 174.79 3iv8 s ASP 57 N 1.76 6.35 0.00 3.58 2.15 -0.89 -4.77 116.67 124.85 3iv8 s ASP 57 Ca 0.02 0.15 0.23 0.00 0.43 0.00 0.00 52.55 53.38 3iv8 s ASP 57 Cb -0.21 -2.27 0.65 0.00 -0.30 0.00 0.00 42.92 40.79 3iv8 s ASP 57 CO 0.05 -0.41 1.51 0.18 -0.17 0.00 0.00 175.17 176.33 3iv8 n LEU 58 N 5.67 2.23 -3.33 -1.34 4.77 -1.26 -1.70 117.00 122.04 3iv8 n LEU 58 Ca -0.05 -0.91 -0.08 0.00 -0.03 0.00 0.00 56.01 54.95 3iv8 n LEU 58 Cb 0.49 -0.12 -0.07 0.00 -2.33 0.00 0.00 43.42 41.39 3iv8 n LEU 58 CO 0.43 0.45 -0.04 -1.58 -1.33 0.00 0.00 177.39 175.33 3iv8 s GLN 59 N -1.76 0.38 -0.22 3.23 0.74 -1.26 -4.68 119.66 116.09 3iv8 s GLN 59 Ca 0.34 0.52 -0.03 0.00 0.05 0.00 0.00 55.36 56.23 3iv8 s GLN 59 Cb 0.19 -0.37 0.11 0.00 1.10 0.00 0.00 33.01 34.05 3iv8 s GLN 59 CO 0.29 -0.70 0.30 -1.17 -0.55 0.00 0.00 175.29 173.46 3iv8 s LEU 60 N 2.57 -0.36 0.20 3.68 2.96 -1.22 0.17 118.68 126.68 3iv8 s LEU 60 Ca 0.13 0.04 0.23 0.00 -0.22 0.00 0.00 54.13 54.31 3iv8 s LEU 60 Cb -0.15 0.75 0.13 0.00 0.50 0.00 0.00 46.19 47.42 3iv8 s LEU 60 CO -0.18 -0.31 1.18 0.78 -1.32 0.00 0.00 176.35 176.50 3iv8 h ASN 61 N 8.25 0.00 0.00 3.68 2.35 -1.40 0.20 115.58 128.66 3iv8 h ASN 61 Ca -0.18 -0.06 0.00 0.00 -0.55 0.00 0.00 56.30 55.51 3iv8 h ASN 61 Cb 1.15 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.52 3iv8 h ASN 61 CO 0.27 0.03 0.00 0.61 -1.65 0.00 0.00 177.43 176.69 3iv8 n GLY 62 N 1.22 2.04 2.10 2.83 0.00 -1.01 -1.02 105.19 111.36 3iv8 n GLY 62 Ca 0.01 -0.98 -0.00 0.00 0.00 0.00 0.00 46.02 45.05 3iv8 n GLY 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 n GLY 64 N -0.44 -0.42 0.00 0.00 0.00 0.78 -1.87 105.19 103.24 3iv8 n GLY 64 Ca 0.00 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.12 3iv8 n GLY 64 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iv8 n GLY 65 N -1.17 3.22 3.51 -0.02 0.00 0.21 -4.93 105.19 106.01 3iv8 n GLY 65 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.82 3iv8 n GLY 65 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3iv8 s VAL 66 N -2.95 3.03 -0.12 1.61 -7.23 -0.78 -4.86 120.40 109.09 3iv8 s VAL 66 Ca 0.00 -1.31 -0.07 0.00 -1.81 0.00 0.00 61.98 58.79 3iv8 s VAL 66 Cb 0.00 -2.37 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 3iv8 s VAL 66 CO 0.00 0.18 0.13 -0.04 -0.31 0.00 0.00 175.10 175.06 3iv8 s MET 67 N -1.94 3.46 0.23 4.82 1.00 -1.26 -1.25 119.30 124.37 3iv8 s MET 67 Ca 0.18 -0.16 -0.07 0.00 0.00 0.00 0.00 55.69 55.64 3iv8 s MET 67 Cb -0.11 -3.17 0.22 0.00 0.00 0.00 0.00 34.83 31.77 3iv8 s MET 67 CO 0.10 0.74 1.86 0.35 0.00 0.00 0.00 175.02 178.06 3iv8 h PHE 68 N 5.13 1.25 0.00 -0.03 3.57 -1.36 -2.50 116.94 122.99 3iv8 h PHE 68 Ca -0.53 -0.03 0.00 0.00 3.53 0.00 0.00 57.97 60.94 3iv8 h PHE 68 Cb 1.22 -0.40 0.00 0.00 2.79 0.00 0.00 35.95 39.56 3iv8 h PHE 68 CO 0.73 0.86 0.00 0.09 -2.23 0.00 0.00 178.31 177.76 3iv8 n ASN 69 N -4.33 0.64 0.05 0.41 4.13 -1.26 -3.04 115.26 111.86 3iv8 n ASN 69 Ca 0.10 0.69 -0.23 0.00 1.68 0.00 0.00 54.58 56.82 3iv8 n ASN 69 Cb 0.09 -0.81 -0.15 0.00 -1.54 0.00 0.00 39.78 37.37 3iv8 n ASN 69 CO 0.00 0.00 0.00 0.44 0.28 0.00 0.00 177.26 177.98 3iv8 h ASP 70 N 0.00 0.54 -3.01 6.41 3.32 -1.83 -3.43 116.42 118.43 3iv8 h ASP 70 Ca 0.00 -0.93 -0.58 0.00 0.02 0.00 0.00 57.03 55.55 3iv8 h ASP 70 Cb 0.27 -0.18 -0.40 0.00 0.22 0.00 0.00 39.33 39.25 3iv8 h ASP 70 CO 0.00 1.77 -0.78 -1.61 -1.72 0.00 0.00 179.24 176.90 3iv8 s GLU 71 N -2.56 0.69 -1.29 3.56 0.41 -1.16 -5.05 118.70 113.32 3iv8 s GLU 71 Ca -0.18 -1.24 -0.10 0.00 -0.41 0.00 0.00 54.97 53.04 3iv8 s GLU 71 Cb 0.05 -1.72 0.16 0.00 -1.78 0.00 0.00 34.13 30.85 3iv8 s GLU 71 CO 0.82 -1.09 1.87 -0.89 -0.49 0.00 0.00 175.26 175.48 3iv8 n ILE 72 N 4.42 4.30 -4.11 -1.63 5.41 -1.20 -4.54 119.36 122.01 3iv8 n ILE 72 Ca 0.03 -4.34 -0.11 0.00 1.00 0.00 0.00 62.75 59.33 3iv8 n ILE 72 Cb 0.39 -2.38 -0.11 0.00 -0.71 0.00 0.00 39.64 36.84 3iv8 n ILE 72 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3iv8 s THR 73 N 0.61 0.53 0.62 1.39 -4.23 -1.26 -4.68 115.64 108.61 3iv8 s THR 73 Ca 0.40 -1.55 0.33 0.00 -1.18 0.00 0.00 61.69 59.68 3iv8 s THR 73 Cb 0.09 -1.19 0.37 0.00 1.34 0.00 0.00 72.50 73.11 3iv8 s THR 73 CO -0.00 -0.70 2.15 0.00 -0.54 0.00 0.00 174.62 175.53 3iv8 h ALA 74 N 3.63 1.52 -0.28 3.99 0.00 -1.91 -1.72 119.26 124.49 3iv8 h ALA 74 Ca -0.35 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.41 3iv8 h ALA 74 Cb 1.18 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.97 3iv8 h ALA 74 CO 0.55 -0.20 -0.41 0.93 0.00 0.00 0.00 179.25 180.12 3iv8 h GLU 75 N 0.00 0.67 0.14 0.00 4.39 -1.93 -2.88 114.58 114.98 3iv8 h GLU 75 Ca 0.04 -0.35 -0.01 0.00 0.34 0.00 0.00 59.36 59.39 3iv8 h GLU 75 Cb 0.36 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.02 3iv8 h GLU 75 CO -0.00 0.96 -0.07 1.15 -1.16 0.00 0.00 179.01 179.89 3iv8 h THR 76 N 0.55 1.02 -0.92 1.13 2.02 -1.55 -2.33 112.91 112.83 3iv8 h THR 76 Ca 0.05 -0.86 0.27 0.00 0.77 0.00 0.00 66.41 66.63 3iv8 h THR 76 Cb 0.94 1.54 -0.15 0.00 -1.74 0.00 0.00 68.15 68.73 3iv8 h THR 76 CO 0.08 0.20 0.26 0.40 0.37 0.00 0.00 175.52 176.83 3iv8 h ILE 77 N -0.61 0.23 -0.59 3.11 2.04 -1.52 -0.26 117.51 119.92 3iv8 h ILE 77 Ca -0.02 -0.06 -0.09 0.00 1.00 0.00 0.00 64.86 65.69 3iv8 h ILE 77 Cb 0.47 0.05 -0.02 0.00 -0.74 0.00 0.00 36.82 36.58 3iv8 h ILE 77 CO 0.03 0.03 0.00 -0.78 0.00 0.00 0.00 178.15 177.43 3iv8 h ASP 78 N 0.17 1.01 -0.91 1.72 3.58 -1.49 -0.91 116.42 119.59 3iv8 h ASP 78 Ca 0.61 -0.31 0.04 0.00 0.42 0.00 0.00 57.03 57.79 3iv8 h ASP 78 Cb 1.30 -0.27 -0.05 0.00 1.72 0.00 0.00 39.33 42.02 3iv8 h ASP 78 CO -0.71 1.07 0.60 0.74 -2.88 0.00 0.00 179.24 178.06 3iv8 h THR 79 N 0.92 1.14 0.19 2.25 2.02 -0.50 -2.01 112.91 116.92 3iv8 h THR 79 Ca 0.17 -0.38 -0.01 0.00 0.77 0.00 0.00 66.41 66.95 3iv8 h THR 79 Cb 0.55 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.88 3iv8 h THR 79 CO 0.03 0.20 -0.09 0.24 0.37 0.00 0.00 175.52 176.27 3iv8 h MET 80 N 1.12 -0.25 -0.59 6.66 2.86 -1.00 -2.07 114.93 121.67 3iv8 h MET 80 Ca 0.37 0.02 0.10 0.00 -2.06 0.00 0.00 59.70 58.13 3iv8 h MET 80 Cb 0.05 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 31.65 3iv8 h MET 80 CO -0.12 0.11 -0.33 1.25 1.06 0.00 0.00 176.91 178.89 3iv8 h HIS 81 N -0.67 -0.89 -0.54 -0.22 6.17 -1.15 0.65 115.15 118.49 3iv8 h HIS 81 Ca -0.03 0.07 0.01 0.00 0.71 0.00 0.00 60.37 61.13 3iv8 h HIS 81 Cb 0.48 0.48 -0.03 0.00 2.52 0.00 0.00 27.41 30.86 3iv8 h HIS 81 CO 0.05 -0.38 0.36 0.87 0.71 0.00 0.00 177.93 179.54 3iv8 h LYS 82 N -0.16 0.70 -0.08 5.26 1.57 -1.35 -1.17 116.57 121.34 3iv8 h LYS 82 Ca 0.23 -0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.82 3iv8 h LYS 82 Cb 0.55 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.71 3iv8 h LYS 82 CO -0.67 0.46 -0.53 0.00 -0.57 0.00 0.00 179.45 178.13 3iv8 h ALA 83 N 1.67 0.17 -0.88 3.86 0.00 -0.48 -3.27 119.26 120.32 3iv8 h ALA 83 Ca 0.20 -0.52 0.19 0.00 0.00 0.00 0.00 54.91 54.78 3iv8 h ALA 83 Cb -0.06 0.00 -0.17 0.00 0.00 0.00 0.00 17.79 17.57 3iv8 h ALA 83 CO -0.05 0.38 -0.14 -0.91 0.00 0.00 0.00 179.25 178.54 3iv8 h ASN 84 N 0.08 -0.68 -0.16 0.00 -0.26 0.86 0.86 115.58 116.27 3iv8 h ASN 84 Ca -0.04 0.26 0.05 0.00 -0.56 0.00 0.00 56.30 56.00 3iv8 h ASN 84 Cb 1.19 0.51 -0.01 0.00 -1.06 0.00 0.00 38.32 38.95 3iv8 h ASN 84 CO 0.11 -0.29 0.18 -0.07 -1.06 0.00 0.00 177.43 176.31 3iv8 h LEU 85 N 0.02 0.00 -0.71 1.61 3.38 -1.21 0.90 115.31 119.30 3iv8 h LEU 85 Ca 0.46 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.43 3iv8 h LEU 85 Cb 0.77 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.52 3iv8 h LEU 85 CO -0.88 0.00 0.00 0.11 0.09 0.00 0.00 178.44 177.76 3iv8 h LYS 86 N 0.00 0.00 0.00 1.13 1.57 -0.93 -3.16 116.57 115.18 3iv8 h LYS 86 Ca 0.08 0.00 -0.04 0.00 -1.87 0.00 0.00 60.65 58.81 3iv8 h LYS 86 Cb 0.45 0.00 -0.10 0.00 0.08 0.00 0.00 32.23 32.66 3iv8 h LYS 86 CO -0.00 0.00 -0.57 -1.13 -0.57 0.00 0.00 179.45 177.18 3iv8 n SER 87 N -2.61 1.53 0.00 0.86 3.41 0.22 -4.73 113.62 112.30 3iv8 n SER 87 Ca 0.03 -3.25 0.00 0.00 -0.26 0.00 0.00 58.87 55.38 3iv8 n SER 87 Cb 0.33 -0.45 0.00 0.00 -0.26 0.00 0.00 64.21 63.83 3iv8 n SER 87 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3iv8 n GLY 88 N -0.71 0.98 3.59 5.00 0.00 -1.04 -2.30 105.19 110.71 3iv8 n GLY 88 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 3iv8 n GLY 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 n THR 90 N 5.70 0.00 -4.13 0.00 -2.24 -0.55 -3.25 114.28 109.80 3iv8 n THR 90 Ca 0.03 -0.24 -0.09 0.00 -2.27 0.00 0.00 64.05 61.48 3iv8 n THR 90 Cb 0.48 0.66 -0.10 0.00 -2.10 0.00 0.00 70.33 69.27 3iv8 n THR 90 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3iv8 s SER 91 N -2.81 0.80 0.18 3.42 0.01 -1.17 -4.43 113.70 109.69 3iv8 s SER 91 Ca 0.01 -1.00 -0.24 0.00 1.31 0.00 0.00 55.95 56.03 3iv8 s SER 91 Cb 0.10 0.15 0.05 0.00 0.21 0.00 0.00 66.02 66.53 3iv8 s SER 91 CO 0.56 -0.53 0.89 0.72 0.41 0.00 0.00 173.24 175.28 3iv8 s PHE 92 N -3.76 -0.16 -0.36 2.43 -0.12 -0.05 -2.09 117.98 113.86 3iv8 s PHE 92 Ca 0.09 -0.17 -0.07 0.00 -0.05 0.00 0.00 56.93 56.73 3iv8 s PHE 92 Cb 0.07 0.65 0.05 0.00 -0.63 0.00 0.00 43.02 43.15 3iv8 s PHE 92 CO -0.07 -0.91 0.15 -0.51 -0.05 0.00 0.00 175.22 173.82 3iv8 s LEU 93 N -2.91 4.57 0.02 -1.99 1.43 -0.69 -2.13 118.68 116.98 3iv8 s LEU 93 Ca 0.11 -1.22 -0.33 0.00 -1.03 0.00 0.00 54.13 51.66 3iv8 s LEU 93 Cb -0.02 -1.91 -0.12 0.00 0.03 0.00 0.00 46.19 44.16 3iv8 s LEU 93 CO 0.02 -0.38 1.79 -2.65 0.23 0.00 0.00 176.35 175.37 3iv8 n PRO 94 N 4.85 2.31 -3.90 1.29 -0.02 -1.24 -3.41 135.00 134.89 3iv8 n PRO 94 Ca -0.12 0.84 -0.35 0.00 -2.02 0.00 0.00 63.50 61.85 3iv8 n PRO 94 Cb 0.44 -2.68 -0.14 0.00 -0.02 0.00 0.00 33.50 31.10 3iv8 n PRO 94 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3iv8 s THR 95 N 2.99 3.36 -0.27 3.45 2.01 0.69 -0.60 115.64 127.27 3iv8 s THR 95 Ca 0.87 -0.59 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 3iv8 s THR 95 Cb -0.64 -2.58 -0.05 0.00 0.01 0.00 0.00 72.50 69.25 3iv8 s THR 95 CO 0.45 0.35 0.21 -0.22 -0.69 0.00 0.00 174.62 174.72 3iv8 s LEU 96 N 1.46 4.04 0.72 4.42 2.96 -0.26 -4.31 118.68 127.71 3iv8 s LEU 96 Ca 0.05 0.05 -0.10 0.00 -0.22 0.00 0.00 54.13 53.91 3iv8 s LEU 96 Cb -0.15 -2.16 0.05 0.00 0.50 0.00 0.00 46.19 44.43 3iv8 s LEU 96 CO -0.03 -0.05 1.08 0.27 -1.32 0.00 0.00 176.35 176.30 3iv8 s ILE 97 N 1.70 2.71 0.12 6.68 -4.36 -1.26 -1.52 121.20 125.26 3iv8 s ILE 97 Ca 0.08 0.07 -0.35 0.00 -0.26 0.00 0.00 60.65 60.19 3iv8 s ILE 97 Cb -0.16 -3.20 -0.16 0.00 1.25 0.00 0.00 42.46 40.20 3iv8 s ILE 97 CO 0.10 -0.24 1.41 0.35 0.24 0.00 0.00 174.94 176.80 3iv8 n THR 98 N -3.03 0.09 -2.10 8.37 -2.24 -0.77 -4.87 114.28 109.72 3iv8 n THR 98 Ca 0.07 -0.02 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 3iv8 n THR 98 Cb 0.59 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.73 3iv8 n THR 98 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26 3iv8 n SER 99 N 2.78 0.00 -4.89 3.42 2.88 -1.26 -4.73 113.62 111.82 3iv8 n SER 99 Ca 0.17 0.00 -0.29 0.00 -1.33 0.00 0.00 58.87 57.42 3iv8 n SER 99 Cb 0.23 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.68 3iv8 n SER 99 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 3iv8 s SER 100 N 1.71 6.34 0.24 -3.46 1.04 -1.26 -4.85 113.70 113.45 3iv8 s SER 100 Ca 0.00 1.13 -0.07 0.00 0.48 0.00 0.00 55.95 57.49 3iv8 s SER 100 Cb 0.00 -2.33 0.41 0.00 0.10 0.00 0.00 66.02 64.20 3iv8 s SER 100 CO 0.00 -0.60 1.65 0.44 0.98 0.00 0.00 173.24 175.71 3iv8 h ASP 101 N 0.39 -0.25 -0.44 7.02 5.19 -1.99 -1.84 116.42 124.51 3iv8 h ASP 101 Ca -0.46 0.17 0.06 0.00 -0.62 0.00 0.00 57.03 56.18 3iv8 h ASP 101 Cb 1.20 0.29 -0.05 0.00 0.18 0.00 0.00 39.33 40.95 3iv8 h ASP 101 CO 0.62 -0.13 0.15 -0.08 -3.12 0.00 0.00 179.24 176.68 3iv8 h GLU 102 N 0.14 0.31 -0.37 3.56 4.81 -2.00 0.07 114.58 121.11 3iv8 h GLU 102 Ca 0.39 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.58 3iv8 h GLU 102 Cb 0.68 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.97 3iv8 h GLU 102 CO -0.60 0.20 0.10 -0.91 -0.73 0.00 0.00 179.01 177.08 3iv8 h ASN 103 N 0.32 0.48 -0.59 1.04 2.35 -1.80 -1.60 115.58 115.78 3iv8 h ASN 103 Ca 0.21 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.80 3iv8 h ASN 103 Cb 0.20 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 3iv8 h ASN 103 CO -0.21 0.48 0.00 0.24 -1.65 0.00 0.00 177.43 176.29 3iv8 h MET 104 N 0.52 1.04 -0.74 0.81 2.86 -0.27 0.50 114.93 119.66 3iv8 h MET 104 Ca 0.13 -0.33 -0.01 0.00 -2.06 0.00 0.00 59.70 57.42 3iv8 h MET 104 Cb 0.18 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.71 3iv8 h MET 104 CO -0.01 1.02 0.42 0.00 1.06 0.00 0.00 176.91 179.40 3iv8 h ARG 105 N 0.94 1.03 -0.77 1.72 3.08 -0.63 0.74 114.38 120.49 3iv8 h ARG 105 Ca 0.17 -0.12 -0.03 0.00 0.07 0.00 0.00 59.98 60.07 3iv8 h ARG 105 Cb 0.55 -0.20 -0.04 0.00 0.08 0.00 0.00 29.97 30.36 3iv8 h ARG 105 CO 0.03 0.76 0.35 1.96 -1.07 0.00 0.00 179.97 182.00 3iv8 h GLN 106 N 1.02 1.11 -0.28 0.04 4.20 -0.98 -1.16 115.11 119.06 3iv8 h GLN 106 Ca 0.26 -0.17 -0.04 0.00 0.06 0.00 0.00 58.65 58.76 3iv8 h GLN 106 Cb 0.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.59 3iv8 h GLN 106 CO -0.04 0.87 0.00 0.00 -0.67 0.00 0.00 178.83 178.99 3iv8 h ALA 107 N 1.28 0.38 -0.33 3.87 0.00 0.01 0.16 119.26 124.63 3iv8 h ALA 107 Ca 0.26 -0.23 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3iv8 h ALA 107 Cb 0.14 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 3iv8 h ALA 107 CO -0.03 0.12 0.03 0.82 0.00 0.00 0.00 179.25 180.18 3iv8 h ILE 108 N 0.28 0.79 -0.73 0.00 2.04 -0.77 -1.20 117.51 117.92 3iv8 h ILE 108 Ca 0.08 -0.04 -0.05 0.00 1.00 0.00 0.00 64.86 65.85 3iv8 h ILE 108 Cb 0.42 0.65 -0.03 0.00 -0.74 0.00 0.00 36.82 37.12 3iv8 h ILE 108 CO 0.01 0.02 0.26 0.00 0.00 0.00 0.00 178.15 178.45 3iv8 h ALA 109 N 1.27 1.08 -0.53 1.87 0.00 -0.79 -1.30 119.26 120.87 3iv8 h ALA 109 Ca 0.16 -0.20 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 3iv8 h ALA 109 Cb 0.20 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3iv8 h ALA 109 CO -0.24 0.64 -0.15 0.00 0.00 0.00 0.00 179.25 179.49 3iv8 h ALA 110 N 1.21 0.73 -0.48 0.00 0.00 -0.23 -2.23 119.26 118.27 3iv8 h ALA 110 Ca 0.24 -0.37 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3iv8 h ALA 110 Cb 0.25 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3iv8 h ALA 110 CO -0.01 0.68 0.00 0.00 0.00 0.00 0.00 179.25 179.92 3iv8 h ALA 111 N 0.91 0.64 0.22 0.00 0.00 -1.06 -2.15 119.26 117.83 3iv8 h ALA 111 Ca 0.13 -0.28 0.01 0.00 0.00 0.00 0.00 54.91 54.77 3iv8 h ALA 111 Cb 0.73 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3iv8 h ALA 111 CO 0.06 0.44 -0.25 -0.09 0.00 0.00 0.00 179.25 179.40 3iv8 h ARG 112 N 0.69 -0.50 -0.39 0.00 2.43 -1.06 0.01 114.38 115.56 3iv8 h ARG 112 Ca 0.14 0.03 0.06 0.00 -0.81 0.00 0.00 59.98 59.40 3iv8 h ARG 112 Cb 0.50 0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 30.11 3iv8 h ARG 112 CO 0.02 -0.33 0.06 1.49 -1.51 0.00 0.00 179.97 179.71 3iv8 h GLU 113 N -0.52 0.18 0.19 0.20 4.81 -1.42 0.20 114.58 118.23 3iv8 h GLU 113 Ca 0.00 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 3iv8 h GLU 113 Cb 0.49 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.83 3iv8 h GLU 113 CO -0.08 0.12 -0.09 -0.92 -0.73 0.00 0.00 179.01 177.31 3iv8 h TYR 114 N 0.19 -0.24 0.00 0.92 3.20 -1.20 -2.58 116.97 117.25 3iv8 h TYR 114 Ca 0.19 -0.01 -0.05 0.00 3.14 0.00 0.00 58.73 62.00 3iv8 h TYR 114 Cb 0.23 0.08 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 3iv8 h TYR 114 CO -0.21 -0.15 -0.23 1.96 -1.64 0.00 0.00 178.16 177.90 3iv8 h GLN 115 N -0.26 0.00 -0.38 1.82 4.20 -0.79 0.15 115.11 119.85 3iv8 h GLN 115 Ca -0.03 0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 3iv8 h GLN 115 Cb 0.20 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3iv8 h GLN 115 CO 0.04 0.23 0.02 0.00 -0.67 0.00 0.00 178.83 178.45 3iv8 h ALA 116 N 1.77 1.33 0.07 3.87 0.00 -0.44 -3.29 119.26 122.58 3iv8 h ALA 116 Ca -0.00 -0.20 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 3iv8 h ALA 116 Cb 0.47 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3iv8 h ALA 116 CO 0.03 0.46 -1.32 -0.22 0.00 0.00 0.00 179.25 178.20 3iv8 h LYS 117 N 0.57 0.16 -6.40 0.00 3.64 -0.68 -3.47 116.57 110.38 3iv8 h LYS 117 Ca 0.12 -0.27 -0.66 0.00 -1.27 0.00 0.00 60.65 58.58 3iv8 h LYS 117 Cb 0.33 0.10 -0.29 0.00 -0.41 0.00 0.00 32.23 31.96 3iv8 h LYS 117 CO 0.01 1.13 -0.87 0.71 -2.27 0.00 0.00 179.45 178.16 3iv8 s TYR 118 N -2.43 2.12 0.23 1.91 2.02 0.37 -5.12 117.35 116.45 3iv8 s TYR 118 Ca -0.23 -0.40 0.08 0.00 -0.37 0.00 0.00 57.07 56.15 3iv8 s TYR 118 Cb 0.04 -1.33 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 3iv8 s TYR 118 CO 0.71 0.02 0.09 -1.25 -1.57 0.00 0.00 175.55 173.55 3iv8 s PRO 119 N -0.80 2.63 -1.34 -1.71 0.04 -1.26 -4.08 135.00 128.47 3iv8 s PRO 119 Ca 0.09 -1.15 -0.12 0.00 0.04 0.00 0.00 61.00 59.87 3iv8 s PRO 119 Cb -0.09 -2.41 0.10 0.00 0.04 0.00 0.00 34.50 32.13 3iv8 s PRO 119 CO 0.00 0.41 0.54 0.09 0.04 0.00 0.00 177.00 178.09 3iv8 n ASN 120 N -0.78 -3.35 0.00 6.66 4.13 -1.26 -4.82 115.26 115.84 3iv8 n ASN 120 Ca -0.08 -0.54 0.00 0.00 1.68 0.00 0.00 54.58 55.64 3iv8 n ASN 120 Cb 0.57 -2.78 0.00 0.00 -1.54 0.00 0.00 39.78 36.03 3iv8 n ASN 120 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3iv8 n GLN 121 N -3.83 0.00 -2.58 3.52 6.02 -1.26 -4.60 117.38 114.65 3iv8 n GLN 121 Ca 0.02 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.58 3iv8 n GLN 121 Cb 0.52 -0.04 -0.03 0.00 1.02 0.00 0.00 30.24 31.72 3iv8 n GLN 121 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 177.06 176.50 3iv8 s SER 122 N -2.41 7.16 -0.03 1.08 0.15 -1.26 -0.87 113.70 117.52 3iv8 s SER 122 Ca 0.00 1.68 0.17 0.00 0.70 0.00 0.00 55.95 58.50 3iv8 s SER 122 Cb 0.00 -2.56 0.54 0.00 -1.71 0.00 0.00 66.02 62.29 3iv8 s SER 122 CO 0.00 -0.51 1.45 0.18 1.20 0.00 0.00 173.24 175.57 3iv8 n LEU 123 N 5.03 3.74 0.00 3.45 4.77 -0.91 -4.89 117.00 128.20 3iv8 n LEU 123 Ca 0.10 -2.13 0.00 0.00 -0.03 0.00 0.00 56.01 53.94 3iv8 n LEU 123 Cb 0.48 -0.42 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3iv8 n LEU 123 CO 0.54 0.85 0.00 0.61 -1.33 0.00 0.00 177.39 178.06 3iv8 n GLY 124 N 1.05 4.19 3.76 -0.72 0.00 -1.26 -4.58 105.19 107.62 3iv8 n GLY 124 Ca 0.20 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.31 3iv8 n GLY 124 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3iv8 s LEU 125 N 0.00 4.42 -0.24 0.99 2.96 0.08 -3.61 118.68 123.28 3iv8 s LEU 125 Ca 0.00 2.60 -0.04 0.00 -0.22 0.00 0.00 54.13 56.47 3iv8 s LEU 125 Cb 0.00 -3.63 0.00 0.00 0.50 0.00 0.00 46.19 43.06 3iv8 s LEU 125 CO 0.00 -0.56 -0.02 -2.28 -1.32 0.00 0.00 176.35 172.17 3iv8 s HIS 126 N -0.58 3.02 -0.72 5.38 5.65 0.23 -1.16 115.29 127.13 3iv8 s HIS 126 Ca 0.53 -1.11 -0.22 0.00 0.25 0.00 0.00 55.06 54.51 3iv8 s HIS 126 Cb -0.39 -2.12 0.08 0.00 -1.18 0.00 0.00 32.58 28.97 3iv8 s HIS 126 CO 0.47 -0.60 1.00 -0.51 -0.65 0.00 0.00 174.74 174.44 3iv8 s LEU 127 N 1.44 4.52 -0.78 8.88 1.02 -0.44 -1.10 118.68 132.22 3iv8 s LEU 127 Ca 0.04 -1.21 -0.20 0.00 0.02 0.00 0.00 54.13 52.78 3iv8 s LEU 127 Cb -0.15 -2.41 0.11 0.00 0.02 0.00 0.00 46.19 43.75 3iv8 s LEU 127 CO -0.02 -1.36 0.99 -0.70 0.02 0.00 0.00 176.35 175.27 3iv8 s GLU 128 N 3.79 3.35 0.00 1.70 2.12 -0.58 -0.89 118.70 128.19 3iv8 s GLU 128 Ca 0.24 -1.43 0.00 0.00 0.36 0.00 0.00 54.97 54.15 3iv8 s GLU 128 Cb -0.14 -4.57 0.00 0.00 0.26 0.00 0.00 34.13 29.68 3iv8 s GLU 128 CO 0.06 -1.72 0.00 0.41 -0.54 0.00 0.00 175.26 173.46 3iv8 n GLY 129 N 5.33 0.95 0.73 -1.50 0.00 -0.84 -1.86 105.19 108.01 3iv8 n GLY 129 Ca 0.09 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 44.20 3iv8 n GLY 129 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3iv8 n PRO 130 N 1.22 1.99 -1.99 1.61 -0.04 -1.26 -4.65 135.00 131.89 3iv8 n PRO 130 Ca 0.00 -1.46 -0.38 0.00 -0.04 0.00 0.00 63.50 61.62 3iv8 n PRO 130 Cb 0.00 -1.46 -0.01 0.00 -0.04 0.00 0.00 33.50 31.99 3iv8 n PRO 130 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3iv8 n TYR 131 N 0.74 2.47 -2.50 0.54 4.01 -1.25 -2.29 117.16 118.88 3iv8 n TYR 131 Ca 0.17 -2.65 0.00 0.00 -0.16 0.00 0.00 57.90 55.26 3iv8 n TYR 131 Cb 0.46 -1.68 0.00 0.00 -0.31 0.00 0.00 39.34 37.81 3iv8 n TYR 131 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3iv8 n LEU 132 N 1.35 0.00 -4.17 7.72 4.77 -1.26 -0.88 117.00 124.53 3iv8 n LEU 132 Ca 0.59 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 56.23 3iv8 n LEU 132 Cb 0.29 0.00 -0.16 0.00 -2.33 0.00 0.00 43.42 41.23 3iv8 n LEU 132 CO 0.61 -0.30 -0.50 0.21 -1.33 0.00 0.00 177.39 176.07 3iv8 s ASN 133 N -1.00 3.36 0.50 -1.43 3.84 -0.71 -4.66 114.94 114.85 3iv8 s ASN 133 Ca 0.00 -0.59 0.29 0.00 0.21 0.00 0.00 52.86 52.77 3iv8 s ASN 133 Cb 0.00 -1.53 1.38 0.00 -0.55 0.00 0.00 41.25 40.56 3iv8 s ASN 133 CO 0.00 0.01 1.84 1.62 -2.79 0.00 0.00 177.10 177.78 3iv8 h VAL 134 N 5.87 0.52 0.00 -5.21 3.04 -1.93 -0.67 116.25 117.87 3iv8 h VAL 134 Ca -0.43 -0.04 0.00 0.00 -1.01 0.00 0.00 66.70 65.22 3iv8 h VAL 134 Cb 1.15 0.38 0.00 0.00 -2.01 0.00 0.00 31.29 30.82 3iv8 h VAL 134 CO 0.62 0.02 0.00 0.23 -1.01 0.00 0.00 177.57 177.43 3iv8 n MET 135 N -4.34 0.02 -1.70 4.17 2.81 -1.26 -2.29 117.12 114.53 3iv8 n MET 135 Ca 0.22 0.31 0.03 0.00 -1.81 0.00 0.00 57.70 56.45 3iv8 n MET 135 Cb 1.00 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 32.01 3iv8 n MET 135 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3iv8 n LYS 136 N -1.56 0.41 0.29 0.03 4.01 -0.28 -4.95 118.16 116.12 3iv8 n LYS 136 Ca 0.03 -2.34 0.15 0.00 -0.51 0.00 0.00 58.31 55.63 3iv8 n LYS 136 Cb 0.14 -0.38 0.88 0.00 -0.51 0.00 0.00 35.03 35.17 3iv8 n LYS 136 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 3iv8 h LYS 137 N 1.29 0.00 0.00 1.97 2.10 -1.23 -3.43 116.57 117.27 3iv8 h LYS 137 Ca -0.20 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.45 3iv8 h LYS 137 Cb 1.75 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.08 3iv8 h LYS 137 CO 0.12 0.02 0.00 0.41 -2.00 0.00 0.00 179.45 178.00 3iv8 n GLY 138 N -1.22 2.97 0.08 0.07 0.00 -1.26 -0.86 105.19 104.97 3iv8 n GLY 138 Ca -0.03 0.22 0.13 0.00 0.00 0.00 0.00 46.02 46.35 3iv8 n GLY 138 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3iv8 n ILE 139 N 0.00 0.00 -2.10 -0.61 -5.35 -1.26 -4.90 119.36 105.14 3iv8 n ILE 139 Ca 0.00 -0.04 -0.38 0.00 -0.27 0.00 0.00 62.75 62.05 3iv8 n ILE 139 Cb 0.00 0.09 -0.00 0.00 -1.74 0.00 0.00 39.64 37.99 3iv8 n ILE 139 CO 0.00 0.00 0.00 -1.00 -1.76 0.00 0.00 176.55 173.79 3iv8 s HIS 140 N -2.77 2.78 -0.01 4.28 3.76 -0.04 -4.96 115.29 118.33 3iv8 s HIS 140 Ca 0.19 1.46 -0.30 0.00 -0.15 0.00 0.00 55.06 56.26 3iv8 s HIS 140 Cb 0.19 -3.56 -0.05 0.00 1.11 0.00 0.00 32.58 30.27 3iv8 s HIS 140 CO 0.58 -1.94 1.25 0.45 -0.85 0.00 0.00 174.74 174.24 3iv8 s SER 141 N -1.03 7.00 0.41 1.40 0.15 -1.26 -4.92 113.70 115.45 3iv8 s SER 141 Ca 0.62 1.95 0.09 0.00 0.70 0.00 0.00 55.95 59.31 3iv8 s SER 141 Cb -0.34 -2.56 0.86 0.00 -1.71 0.00 0.00 66.02 62.26 3iv8 s SER 141 CO 0.43 -0.59 1.99 0.58 1.20 0.00 0.00 173.24 176.85 3iv8 h VAL 142 N 4.85 1.13 0.00 4.45 2.07 -1.93 -1.55 116.25 125.26 3iv8 h VAL 142 Ca -0.37 -0.46 -0.01 0.00 0.82 0.00 0.00 66.70 66.68 3iv8 h VAL 142 Cb 1.18 0.91 -0.00 0.00 -1.52 0.00 0.00 31.29 31.86 3iv8 h VAL 142 CO 0.87 0.16 -0.03 0.44 0.02 0.00 0.00 177.57 179.03 3iv8 h ASP 143 N 0.34 0.00 0.00 0.57 3.45 -2.02 -3.30 116.42 115.46 3iv8 h ASP 143 Ca 0.08 0.00 -0.09 0.00 0.43 0.00 0.00 57.03 57.45 3iv8 h ASP 143 Cb 0.17 0.00 -0.02 0.00 -0.56 0.00 0.00 39.33 38.92 3iv8 h ASP 143 CO -0.00 0.03 -1.67 0.49 -1.57 0.00 0.00 179.24 176.52 3iv8 n PHE 144 N -3.16 0.00 -1.69 4.55 3.72 -0.65 -4.94 117.46 115.29 3iv8 n PHE 144 Ca -0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 3iv8 n PHE 144 Cb 0.28 -0.41 -0.03 0.00 -0.94 0.00 0.00 39.48 38.38 3iv8 n PHE 144 CO 0.00 0.00 0.00 0.42 -0.05 0.00 0.00 176.76 177.13 3iv8 s ILE 145 N -2.62 3.07 0.09 4.37 1.01 -0.82 -4.82 121.20 121.48 3iv8 s ILE 145 Ca -0.05 0.09 -0.14 0.00 0.00 0.00 0.00 60.65 60.54 3iv8 s ILE 145 Cb 0.06 -3.06 0.02 0.00 0.01 0.00 0.00 42.46 39.49 3iv8 s ILE 145 CO 0.50 -0.02 0.34 0.00 0.00 0.00 0.00 174.94 175.76 3iv8 s ARG 146 N 4.83 0.94 0.81 2.79 1.70 -0.97 -4.97 118.95 124.08 3iv8 s ARG 146 Ca 0.89 -0.66 -0.14 0.00 -0.47 0.00 0.00 55.73 55.35 3iv8 s ARG 146 Cb -0.40 0.41 0.05 0.00 -0.57 0.00 0.00 34.95 34.44 3iv8 s ARG 146 CO 0.39 -0.33 0.90 -0.35 -1.08 0.00 0.00 175.30 174.83 3iv8 n PRO 147 N 0.10 0.13 -2.35 3.89 -0.04 -1.26 -3.90 135.00 131.57 3iv8 n PRO 147 Ca -0.17 0.11 -0.38 0.00 -0.04 0.00 0.00 63.50 63.02 3iv8 n PRO 147 Cb 0.62 -2.19 -0.03 0.00 -0.04 0.00 0.00 33.50 31.86 3iv8 n PRO 147 CO 0.00 0.00 0.00 -1.54 -0.04 0.00 0.00 175.50 173.92 3iv8 s SER 148 N -1.94 6.69 -0.02 3.54 1.04 -1.26 -4.89 113.70 116.86 3iv8 s SER 148 Ca 0.69 2.31 0.05 0.00 0.48 0.00 0.00 55.95 59.47 3iv8 s SER 148 Cb -0.29 -2.61 -0.01 0.00 0.10 0.00 0.00 66.02 63.20 3iv8 s SER 148 CO 0.55 -0.55 -0.16 1.51 0.98 0.00 0.00 173.24 175.58 3iv8 s ASP 149 N -1.12 1.85 0.36 7.02 -4.77 -1.26 -4.85 116.67 113.90 3iv8 s ASP 149 Ca 0.55 -0.29 0.19 0.00 -3.30 0.00 0.00 52.55 49.70 3iv8 s ASP 149 Cb -0.30 -0.25 1.30 0.00 -1.09 0.00 0.00 42.92 42.58 3iv8 s ASP 149 CO 0.38 0.18 1.58 0.44 0.70 0.00 0.00 175.17 178.46 3iv8 h ASP 150 N 5.82 0.26 -0.05 2.11 3.32 -1.98 -1.14 116.42 124.77 3iv8 h ASP 150 Ca -0.35 0.26 -0.03 0.00 0.02 0.00 0.00 57.03 56.93 3iv8 h ASP 150 Cb 1.16 0.28 -0.00 0.00 0.22 0.00 0.00 39.33 40.99 3iv8 h ASP 150 CO 0.49 -0.43 -0.08 0.74 -1.72 0.00 0.00 179.24 178.24 3iv8 h THR 151 N 0.01 1.41 0.00 0.35 2.02 -1.99 0.67 112.91 115.38 3iv8 h THR 151 Ca 0.83 -1.33 -0.11 0.00 0.77 0.00 0.00 66.41 66.56 3iv8 h THR 151 Cb 2.16 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 70.73 3iv8 h THR 151 CO -0.78 0.36 -0.55 -0.03 0.37 0.00 0.00 175.52 174.90 3iv8 h MET 152 N -0.35 0.00 -0.42 6.66 1.85 -1.89 -1.40 114.93 119.39 3iv8 h MET 152 Ca 0.00 0.00 -0.11 0.00 -0.61 0.00 0.00 59.70 58.99 3iv8 h MET 152 Cb 0.63 0.00 -0.01 0.00 0.43 0.00 0.00 31.60 32.64 3iv8 h MET 152 CO 0.02 0.55 -0.15 0.82 -0.40 0.00 0.00 176.91 177.74 3iv8 h ILE 153 N 0.00 1.28 -0.32 1.77 1.08 -1.16 0.91 117.51 121.07 3iv8 h ILE 153 Ca -0.01 -1.28 -0.08 0.00 -0.39 0.00 0.00 64.86 63.10 3iv8 h ILE 153 Cb 0.98 1.22 -0.02 0.00 -3.07 0.00 0.00 36.82 35.93 3iv8 h ILE 153 CO 0.07 0.43 -0.15 0.44 -0.69 0.00 0.00 178.15 178.25 3iv8 h ASP 154 N 0.66 0.55 -0.05 1.72 3.32 -0.59 -1.73 116.42 120.30 3iv8 h ASP 154 Ca 0.10 -0.16 -0.08 0.00 0.02 0.00 0.00 57.03 56.91 3iv8 h ASP 154 Cb 0.70 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.11 3iv8 h ASP 154 CO 0.05 0.72 -0.29 0.71 -1.72 0.00 0.00 179.24 178.71 3iv8 h THR 155 N 0.51 1.44 -0.72 0.35 1.35 -1.04 -1.75 112.91 113.05 3iv8 h THR 155 Ca 0.09 -1.74 0.15 0.00 -0.55 0.00 0.00 66.41 64.36 3iv8 h THR 155 Cb 0.56 2.40 -0.13 0.00 -1.73 0.00 0.00 68.15 69.25 3iv8 h THR 155 CO 0.04 0.49 -0.08 0.40 -0.25 0.00 0.00 175.52 176.12 3iv8 h ILE 156 N -0.23 0.33 -0.19 6.82 2.04 -0.68 -0.77 117.51 124.83 3iv8 h ILE 156 Ca -0.02 -0.02 -0.00 0.00 1.00 0.00 0.00 64.86 65.82 3iv8 h ILE 156 Cb 0.96 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 3iv8 h ILE 156 CO 0.06 0.01 0.10 0.00 0.00 0.00 0.00 178.15 178.32 3iv8 h ALA 158 N 0.99 1.18 -0.94 0.00 0.00 -0.22 -1.39 119.26 118.87 3iv8 h ALA 158 Ca 0.07 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.40 3iv8 h ALA 158 Cb 0.08 0.00 -0.41 0.00 0.00 0.00 0.00 17.79 17.46 3iv8 h ALA 158 CO -0.01 -0.18 -0.61 0.09 0.00 0.00 0.00 179.25 178.54 3iv8 n ASN 159 N -2.47 5.18 0.20 0.00 3.02 -0.85 -4.83 115.26 115.51 3iv8 n ASN 159 Ca -0.02 -3.75 0.05 0.00 -0.03 0.00 0.00 54.58 50.84 3iv8 n ASN 159 Cb 0.25 -0.44 0.40 0.00 -0.61 0.00 0.00 39.78 39.38 3iv8 n ASN 159 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 3iv8 h SER 160 N 2.27 0.00 0.00 6.41 4.64 -1.28 -2.69 113.55 122.91 3iv8 h SER 160 Ca 0.38 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.70 3iv8 h SER 160 Cb 1.30 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.39 3iv8 h SER 160 CO 0.87 0.35 0.14 -0.90 -0.87 0.00 0.00 176.83 176.42 3iv8 n ASP 161 N -3.73 0.19 0.00 4.97 5.68 -1.26 -2.13 116.55 120.27 3iv8 n ASP 161 Ca -0.01 0.50 0.00 0.00 -0.50 0.00 0.00 54.79 54.78 3iv8 n ASP 161 Cb 0.44 -0.49 0.00 0.00 -1.14 0.00 0.00 41.12 39.93 3iv8 n ASP 161 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 3iv8 n VAL 162 N -1.71 0.00 -3.88 2.12 3.14 -1.03 -4.99 118.33 111.97 3iv8 n VAL 162 Ca -0.00 -0.12 -0.35 0.00 -2.96 0.00 0.00 64.34 60.90 3iv8 n VAL 162 Cb 0.16 1.30 -0.14 0.00 -1.06 0.00 0.00 33.84 34.10 3iv8 n VAL 162 CO 0.00 0.00 0.00 -0.63 -6.46 0.00 0.00 176.83 169.74 3iv8 s ILE 163 N -0.15 3.39 -0.03 1.55 1.01 -0.91 -0.74 121.20 125.32 3iv8 s ILE 163 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 60.65 59.98 3iv8 s ILE 163 Cb 0.00 -2.66 -0.25 0.00 0.01 0.00 0.00 42.46 39.57 3iv8 s ILE 163 CO 0.00 0.26 0.71 0.00 0.00 0.00 0.00 174.94 175.91 3iv8 h ALA 164 N 8.12 0.53 -2.35 9.38 0.00 -1.37 -3.43 119.26 130.13 3iv8 h ALA 164 Ca -0.36 -1.31 -0.09 0.00 0.00 0.00 0.00 54.91 53.15 3iv8 h ALA 164 Cb 1.13 0.42 -0.21 0.00 0.00 0.00 0.00 17.79 19.14 3iv8 h ALA 164 CO 0.59 1.38 -0.07 0.21 0.00 0.00 0.00 179.25 181.36 3iv8 s LYS 165 N -2.60 0.75 -0.07 0.00 2.20 -1.11 -1.22 119.74 117.69 3iv8 s LYS 165 Ca -0.09 0.31 -0.00 0.00 -0.36 0.00 0.00 55.97 55.83 3iv8 s LYS 165 Cb 0.08 0.35 0.02 0.00 -1.51 0.00 0.00 37.83 36.77 3iv8 s LYS 165 CO 0.82 -0.18 -0.04 0.08 -0.36 0.00 0.00 175.35 175.67 3iv8 s VAL 166 N -0.64 0.66 -0.16 4.02 1.01 -0.20 -1.33 120.40 123.76 3iv8 s VAL 166 Ca -0.07 -0.11 -0.17 0.00 0.00 0.00 0.00 61.98 61.63 3iv8 s VAL 166 Cb -0.03 -0.72 -0.04 0.00 0.00 0.00 0.00 36.38 35.59 3iv8 s VAL 166 CO 0.04 0.29 0.42 -0.89 0.00 0.00 0.00 175.10 174.96 3iv8 s THR 167 N 1.46 5.21 0.19 3.92 2.01 -0.07 -0.84 115.64 127.52 3iv8 s THR 167 Ca -0.02 0.79 -0.02 0.00 0.31 0.00 0.00 61.69 62.76 3iv8 s THR 167 Cb -0.13 -3.75 -0.04 0.00 0.01 0.00 0.00 72.50 68.59 3iv8 s THR 167 CO -0.03 0.31 0.14 -1.48 -0.69 0.00 0.00 174.62 172.86 3iv8 s LEU 168 N 0.86 1.19 -0.28 4.42 0.05 -0.03 -1.99 118.68 122.88 3iv8 s LEU 168 Ca 0.22 -1.35 -0.13 0.00 0.05 0.00 0.00 54.13 52.92 3iv8 s LEU 168 Cb -0.14 0.43 -0.04 0.00 -2.05 0.00 0.00 46.19 44.38 3iv8 s LEU 168 CO 0.08 -0.84 0.28 0.00 -0.55 0.00 0.00 176.35 175.32 3iv8 s ALA 169 N -4.14 3.54 -0.30 1.48 0.00 -0.06 -2.17 121.76 120.12 3iv8 s ALA 169 Ca 0.37 -1.00 0.22 0.00 0.00 0.00 0.00 51.96 51.54 3iv8 s ALA 169 Cb 0.07 -2.60 0.11 0.00 0.00 0.00 0.00 23.12 20.69 3iv8 s ALA 169 CO 0.11 -0.65 1.24 -1.00 0.00 0.00 0.00 175.76 175.46 3iv8 h PRO 170 N 8.30 0.00 -0.87 0.00 0.13 -1.89 -3.38 132.00 134.29 3iv8 h PRO 170 Ca -0.33 0.00 0.17 0.00 -0.87 0.00 0.00 66.00 64.97 3iv8 h PRO 170 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.24 3iv8 h PRO 170 CO 0.60 0.03 0.57 1.05 -0.23 0.00 0.00 178.00 180.02 3iv8 h GLU 171 N 0.00 0.50 -0.14 0.86 9.09 -1.94 -2.51 114.58 120.43 3iv8 h GLU 171 Ca -0.01 -0.03 -0.14 0.00 0.05 0.00 0.00 59.36 59.23 3iv8 h GLU 171 Cb 1.05 -0.11 -0.17 0.00 -1.65 0.00 0.00 28.75 27.86 3iv8 h GLU 171 CO 0.00 0.33 -0.69 0.09 0.05 0.00 0.00 179.01 178.79 3iv8 n ASN 172 N -4.53 2.07 -4.57 3.06 5.03 -1.26 -5.03 115.26 110.03 3iv8 n ASN 172 Ca 0.18 -3.39 -0.26 0.00 0.87 0.00 0.00 54.58 51.97 3iv8 n ASN 172 Cb 0.58 -0.45 -0.11 0.00 -1.02 0.00 0.00 39.78 38.78 3iv8 n ASN 172 CO 0.00 0.00 0.00 0.20 -1.83 0.00 0.00 177.26 175.63 3iv8 s ASN 173 N -3.08 3.63 -0.00 6.41 0.01 -0.95 -4.92 114.94 116.04 3iv8 s ASN 173 Ca 0.39 -1.30 -0.30 0.00 -0.71 0.00 0.00 52.86 50.93 3iv8 s ASN 173 Cb 0.38 -0.34 -0.05 0.00 0.41 0.00 0.00 41.25 41.64 3iv8 s ASN 173 CO -0.07 -0.38 1.35 -0.54 -1.51 0.00 0.00 177.10 175.95 3iv8 s LYS 174 N -3.70 4.30 0.17 -0.60 1.02 -1.26 -4.94 119.74 114.74 3iv8 s LYS 174 Ca 0.34 1.91 -0.16 0.00 0.02 0.00 0.00 55.97 58.07 3iv8 s LYS 174 Cb 0.07 -3.54 0.11 0.00 -0.52 0.00 0.00 37.83 33.95 3iv8 s LYS 174 CO 0.17 -0.53 1.67 -1.35 -0.92 0.00 0.00 175.35 174.39 3iv8 h PRO 175 N 7.66 0.02 -1.51 -1.68 0.11 -1.99 -2.00 132.00 132.61 3iv8 h PRO 175 Ca -0.38 -0.00 0.44 0.00 0.11 0.00 0.00 66.00 66.17 3iv8 h PRO 175 Cb 1.18 -0.00 -0.07 0.00 0.11 0.00 0.00 31.00 32.22 3iv8 h PRO 175 CO 0.89 0.01 1.08 0.93 -0.21 0.00 0.00 178.00 180.70 3iv8 h GLU 176 N 0.02 0.02 -0.27 1.05 3.07 -1.97 0.17 114.58 116.67 3iv8 h GLU 176 Ca 0.20 -0.00 -0.13 0.00 -0.50 0.00 0.00 59.36 58.93 3iv8 h GLU 176 Cb 0.31 -0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.21 3iv8 h GLU 176 CO -0.42 0.01 -0.35 0.45 -1.40 0.00 0.00 179.01 177.30 3iv8 h HIS 177 N 0.02 0.87 -0.11 4.33 3.86 -1.76 -0.92 115.15 121.44 3iv8 h HIS 177 Ca 0.73 -0.28 0.02 0.00 -1.16 0.00 0.00 60.37 59.67 3iv8 h HIS 177 Cb 2.87 -0.17 -0.02 0.00 1.06 0.00 0.00 27.41 31.15 3iv8 h HIS 177 CO -0.00 1.04 0.01 0.82 0.86 0.00 0.00 177.93 180.66 3iv8 h ILE 178 N 0.44 0.94 -0.03 2.45 2.04 -0.75 -1.87 117.51 120.72 3iv8 h ILE 178 Ca 0.03 -0.02 0.04 0.00 1.00 0.00 0.00 64.86 65.91 3iv8 h ILE 178 Cb 0.93 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 37.84 3iv8 h ILE 178 CO 0.08 0.01 -0.37 -0.33 0.00 0.00 0.00 178.15 177.54 3iv8 h GLU 179 N 0.05 -0.48 -0.62 2.37 5.08 -1.35 -1.41 114.58 118.23 3iv8 h GLU 179 Ca 0.05 0.03 0.11 0.00 -1.00 0.00 0.00 59.36 58.56 3iv8 h GLU 179 Cb 0.05 0.11 -0.08 0.00 0.50 0.00 0.00 28.75 29.33 3iv8 h GLU 179 CO -0.08 -0.32 0.17 0.87 -1.00 0.00 0.00 179.01 178.65 3iv8 h LYS 180 N -0.50 0.30 -0.68 2.33 1.57 -1.08 -0.84 116.57 117.67 3iv8 h LYS 180 Ca 0.06 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 3iv8 h LYS 180 Cb 0.60 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.81 3iv8 h LYS 180 CO -0.31 0.20 0.28 -0.07 -0.57 0.00 0.00 179.45 178.98 3iv8 h LEU 181 N 0.31 0.93 -0.34 2.94 3.38 -0.82 -2.70 115.31 119.02 3iv8 h LEU 181 Ca 0.33 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 58.03 3iv8 h LEU 181 Cb 0.47 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3iv8 h LEU 181 CO -0.38 0.84 -0.18 0.58 0.09 0.00 0.00 178.44 179.39 3iv8 h VAL 182 N 0.96 1.29 -0.82 1.22 2.07 -0.58 -2.23 116.25 118.16 3iv8 h VAL 182 Ca 0.23 -1.30 0.17 0.00 0.82 0.00 0.00 66.70 66.63 3iv8 h VAL 182 Cb 0.19 1.41 -0.06 0.00 -1.52 0.00 0.00 31.29 31.31 3iv8 h VAL 182 CO -0.02 0.42 0.55 0.50 0.02 0.00 0.00 177.57 179.04 3iv8 h LYS 183 N 0.48 0.39 0.00 1.57 3.64 -1.12 0.10 116.57 121.64 3iv8 h LYS 183 Ca 0.07 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 3iv8 h LYS 183 Cb 0.71 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 3iv8 h LYS 183 CO 0.05 0.26 0.00 0.00 -2.27 0.00 0.00 179.45 177.49 3iv8 n ALA 184 N -2.52 2.62 -1.75 5.00 0.00 -1.03 -4.89 120.51 117.95 3iv8 n ALA 184 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3iv8 n ALA 184 Cb 0.60 -1.50 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3iv8 n ALA 184 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv8 n GLY 185 N 0.94 0.49 3.82 0.00 0.00 0.35 -4.75 105.19 106.05 3iv8 n GLY 185 Ca 0.22 -0.84 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 3iv8 n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iv8 s ILE 186 N -2.00 5.31 0.02 -0.61 1.01 -0.86 -4.93 121.20 119.14 3iv8 s ILE 186 Ca 0.00 0.14 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 3iv8 s ILE 186 Cb 0.00 -3.33 -0.05 0.00 0.01 0.00 0.00 42.46 39.09 3iv8 s ILE 186 CO 0.00 0.58 0.71 -0.69 0.00 0.00 0.00 174.94 175.54 3iv8 s VAL 187 N -0.74 4.82 -0.16 2.92 1.01 -0.36 -3.84 120.40 124.05 3iv8 s VAL 187 Ca 0.13 1.50 -0.04 0.00 0.00 0.00 0.00 61.98 63.57 3iv8 s VAL 187 Cb -0.12 -4.05 -0.03 0.00 0.00 0.00 0.00 36.38 32.18 3iv8 s VAL 187 CO 0.03 0.36 -0.02 -0.69 0.00 0.00 0.00 175.10 174.78 3iv8 s VAL 188 N 0.02 4.01 -0.07 2.92 1.01 -1.26 -1.04 120.40 125.99 3iv8 s VAL 188 Ca 0.36 -0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.06 3iv8 s VAL 188 Cb -0.19 -2.77 -0.02 0.00 0.00 0.00 0.00 36.38 33.39 3iv8 s VAL 188 CO 0.21 0.48 -0.15 -0.55 0.00 0.00 0.00 175.10 175.09 3iv8 s SER 189 N 0.43 3.92 0.19 3.32 0.15 -0.02 -2.46 113.70 119.24 3iv8 s SER 189 Ca -0.03 -0.26 -0.30 0.00 0.70 0.00 0.00 55.95 56.07 3iv8 s SER 189 Cb -0.14 -1.01 -0.08 0.00 -1.71 0.00 0.00 66.02 63.08 3iv8 s SER 189 CO 0.02 0.30 1.01 -0.51 1.20 0.00 0.00 173.24 175.26 3iv8 s ILE 190 N -0.43 4.07 -0.03 6.45 2.07 -0.15 -0.85 121.20 132.32 3iv8 s ILE 190 Ca 0.05 1.89 -0.30 0.00 -1.41 0.00 0.00 60.65 60.88 3iv8 s ILE 190 Cb -0.12 -4.20 0.11 0.00 0.13 0.00 0.00 42.46 38.37 3iv8 s ILE 190 CO 0.02 0.37 0.99 -0.83 -1.91 0.00 0.00 174.94 173.58 3iv8 s GLY 191 N -0.53 -0.40 -1.51 1.50 0.00 -0.92 -0.16 107.32 105.29 3iv8 s GLY 191 Ca 0.45 1.04 -0.03 0.00 0.00 0.00 0.00 44.72 46.19 3iv8 s GLY 191 CO 0.33 0.34 0.08 1.42 0.00 0.00 0.00 173.10 175.27 3iv8 n HIS 192 N -0.24 -1.29 -4.38 1.90 8.25 -0.76 -3.78 115.22 114.91 3iv8 n HIS 192 Ca -0.06 0.57 -0.25 0.00 -0.26 0.00 0.00 57.72 57.72 3iv8 n HIS 192 Cb 0.61 -2.85 -0.12 0.00 1.12 0.00 0.00 29.99 28.75 3iv8 n HIS 192 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 3iv8 s THR 193 N -4.29 2.13 -0.25 1.59 -1.32 -0.74 -1.73 115.64 111.02 3iv8 s THR 193 Ca 0.04 -1.98 0.11 0.00 -1.21 0.00 0.00 61.69 58.66 3iv8 s THR 193 Cb -0.02 -2.00 0.49 0.00 -1.51 0.00 0.00 72.50 69.46 3iv8 s THR 193 CO 0.99 -0.19 1.41 -3.20 -2.21 0.00 0.00 174.62 171.42 3iv8 n ASN 194 N 0.29 2.64 -4.76 8.08 5.15 -1.26 -3.20 115.26 122.19 3iv8 n ASN 194 Ca -0.13 -3.61 -0.39 0.00 -0.60 0.00 0.00 54.58 49.85 3iv8 n ASN 194 Cb 0.56 -0.60 0.01 0.00 -0.53 0.00 0.00 39.78 39.23 3iv8 n ASN 194 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3iv8 s ALA 195 N -3.15 3.14 0.87 5.20 0.00 -1.26 -4.89 121.76 121.66 3iv8 s ALA 195 Ca 0.43 1.30 -0.12 0.00 0.00 0.00 0.00 51.96 53.57 3iv8 s ALA 195 Cb 0.38 -3.53 0.11 0.00 0.00 0.00 0.00 23.12 20.09 3iv8 s ALA 195 CO 0.01 -1.04 1.10 0.95 0.00 0.00 0.00 175.76 176.78 3iv8 s THR 196 N -1.28 2.71 0.16 0.00 -4.23 -1.26 -4.01 115.64 107.73 3iv8 s THR 196 Ca 0.62 0.23 -0.27 0.00 -1.18 0.00 0.00 61.69 61.09 3iv8 s THR 196 Cb -0.39 -2.83 0.01 0.00 1.34 0.00 0.00 72.50 70.63 3iv8 s THR 196 CO 0.50 -0.30 1.57 0.22 -0.54 0.00 0.00 174.62 176.06 3iv8 h TYR 197 N -1.41 -1.29 -0.55 3.99 3.20 -1.88 0.11 116.97 119.14 3iv8 h TYR 197 Ca -0.49 0.08 0.11 0.00 3.14 0.00 0.00 58.73 61.56 3iv8 h TYR 197 Cb 1.29 0.63 -0.11 0.00 1.54 0.00 0.00 36.73 40.08 3iv8 h TYR 197 CO 0.42 -0.44 -0.21 0.77 -1.64 0.00 0.00 178.16 177.06 3iv8 h SER 198 N -0.28 -0.74 -0.08 -2.11 0.02 -1.93 0.16 113.55 108.58 3iv8 h SER 198 Ca 0.15 0.19 0.02 0.00 -0.84 0.00 0.00 61.79 61.31 3iv8 h SER 198 Cb 0.57 0.42 -0.02 0.00 0.14 0.00 0.00 62.40 63.52 3iv8 h SER 198 CO -0.63 -0.24 -0.03 -0.33 -1.14 0.00 0.00 176.83 174.46 3iv8 h GLU 199 N -0.08 -0.01 -0.41 3.45 5.08 -1.85 -0.37 114.58 120.39 3iv8 h GLU 199 Ca 0.26 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.67 3iv8 h GLU 199 Cb 0.48 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.68 3iv8 h GLU 199 CO -0.60 -0.01 0.13 0.00 -1.00 0.00 0.00 179.01 177.53 3iv8 h ALA 200 N 1.07 0.48 -0.68 3.43 0.00 0.32 -0.60 119.26 123.29 3iv8 h ALA 200 Ca 0.04 0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.05 3iv8 h ALA 200 Cb 0.08 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3iv8 h ALA 200 CO -0.09 -0.26 0.41 0.00 0.00 0.00 0.00 179.25 179.31 3iv8 h ARG 201 N 0.29 0.77 -0.14 0.00 3.08 -0.60 -0.92 114.38 116.86 3iv8 h ARG 201 Ca 0.19 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.18 3iv8 h ARG 201 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3iv8 h ARG 201 CO -0.21 0.51 0.02 0.87 -1.07 0.00 0.00 179.97 180.09 3iv8 h LYS 202 N 0.79 0.19 -0.18 0.04 1.57 0.11 -1.94 116.57 117.15 3iv8 h LYS 202 Ca 0.28 -0.02 -0.17 0.00 -1.87 0.00 0.00 60.65 58.87 3iv8 h LYS 202 Cb 0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 3iv8 h LYS 202 CO -0.13 0.20 -0.60 0.66 -0.57 0.00 0.00 179.45 179.01 3iv8 h SER 203 N 0.20 0.69 -0.93 0.86 4.64 0.12 -2.04 113.55 117.09 3iv8 h SER 203 Ca 0.05 -0.39 -0.01 0.00 -0.47 0.00 0.00 61.79 60.97 3iv8 h SER 203 Cb 0.10 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.94 3iv8 h SER 203 CO -0.00 1.13 0.54 -0.26 -0.87 0.00 0.00 176.83 177.36 3iv8 h PHE 204 N 0.46 1.25 -0.89 4.77 0.04 -0.82 -1.36 116.94 120.39 3iv8 h PHE 204 Ca -0.00 -0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.78 3iv8 h PHE 204 Cb 1.17 -0.41 -0.05 0.00 2.20 0.00 0.00 35.95 38.86 3iv8 h PHE 204 CO 0.05 0.85 0.59 0.93 -0.60 0.00 0.00 178.31 180.13 3iv8 h GLU 205 N 1.29 1.11 0.00 1.51 4.39 -1.05 -2.15 114.58 119.68 3iv8 h GLU 205 Ca 0.33 -0.07 0.00 0.00 0.34 0.00 0.00 59.36 59.96 3iv8 h GLU 205 Cb -0.02 -0.25 0.00 0.00 -0.10 0.00 0.00 28.75 28.38 3iv8 h GLU 205 CO -0.06 0.74 0.00 0.77 -1.16 0.00 0.00 179.01 179.30 3iv8 h SER 206 N 1.14 0.00 0.00 1.42 0.02 -0.93 -3.46 113.55 111.74 3iv8 h SER 206 Ca 0.34 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.29 3iv8 h SER 206 Cb -0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.50 3iv8 h SER 206 CO -0.09 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.21 3iv8 n GLY 207 N 0.88 -0.59 3.69 -3.77 0.00 -0.79 -3.71 105.19 100.90 3iv8 n GLY 207 Ca 0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 3iv8 n GLY 207 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iv8 s ILE 208 N -0.37 3.31 -0.14 -0.61 1.01 -0.58 -4.65 121.20 119.16 3iv8 s ILE 208 Ca 0.00 0.72 0.05 0.00 0.00 0.00 0.00 60.65 61.41 3iv8 s ILE 208 Cb 0.00 -3.46 0.10 0.00 0.01 0.00 0.00 42.46 39.11 3iv8 s ILE 208 CO 0.00 -0.01 1.07 0.35 0.00 0.00 0.00 174.94 176.35 3iv8 n THR 209 N 4.74 1.17 -3.86 2.92 -2.24 -1.03 -4.39 114.28 111.58 3iv8 n THR 209 Ca 0.15 -1.21 -0.11 0.00 -2.27 0.00 0.00 64.05 60.61 3iv8 n THR 209 Cb 0.42 0.37 -0.09 0.00 -2.10 0.00 0.00 70.33 68.93 3iv8 n THR 209 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 3iv8 s PHE 210 N -1.33 0.05 -0.05 4.78 5.36 -1.15 -0.91 117.98 124.75 3iv8 s PHE 210 Ca 0.09 -0.21 0.05 0.00 -0.96 0.00 0.00 56.93 55.89 3iv8 s PHE 210 Cb 0.07 -0.04 -0.01 0.00 -0.34 0.00 0.00 43.02 42.70 3iv8 s PHE 210 CO 0.03 -0.36 -0.19 0.00 -1.46 0.00 0.00 175.22 173.23 3iv8 s ALA 211 N -2.01 1.69 -0.17 11.12 0.00 0.95 -0.97 121.76 132.36 3iv8 s ALA 211 Ca -0.10 -0.79 -0.16 0.00 0.00 0.00 0.00 51.96 50.92 3iv8 s ALA 211 Cb -0.04 -0.54 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 3iv8 s ALA 211 CO -0.01 0.32 0.39 0.99 0.00 0.00 0.00 175.76 177.44 3iv8 s THR 212 N -0.04 5.23 -0.27 0.00 2.01 0.77 -1.53 115.64 121.81 3iv8 s THR 212 Ca -0.03 0.71 -0.24 0.00 0.31 0.00 0.00 61.69 62.45 3iv8 s THR 212 Cb -0.12 -3.72 0.04 0.00 0.01 0.00 0.00 72.50 68.71 3iv8 s THR 212 CO 0.02 0.30 0.40 0.00 -0.69 0.00 0.00 174.62 174.65 3iv8 n HIS 213 N 4.07 -1.60 -1.64 4.92 1.44 -1.20 -4.77 115.22 116.44 3iv8 n HIS 213 Ca -0.09 0.67 -0.45 0.00 -2.01 0.00 0.00 57.72 55.84 3iv8 n HIS 213 Cb 0.51 -1.13 -0.03 0.00 0.12 0.00 0.00 29.99 29.47 3iv8 n HIS 213 CO 0.00 0.00 0.00 -0.11 -2.81 0.00 0.00 176.34 173.42 3iv8 n LEU 214 N 0.04 2.67 0.00 2.39 7.94 0.49 -0.99 117.00 129.54 3iv8 n LEU 214 Ca -0.05 1.16 0.00 0.00 -1.11 0.00 0.00 56.01 56.00 3iv8 n LEU 214 Cb 0.46 -1.37 0.00 0.00 0.53 0.00 0.00 43.42 43.03 3iv8 n LEU 214 CO 0.33 -0.77 0.00 0.49 -1.11 0.00 0.00 177.39 176.33 3iv8 n PHE 215 N 1.41 0.00 -3.78 1.96 3.72 -1.26 -4.83 117.46 114.68 3iv8 n PHE 215 Ca 0.11 0.00 -0.36 0.00 -0.05 0.00 0.00 57.45 57.15 3iv8 n PHE 215 Cb 0.31 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.78 3iv8 n PHE 215 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iv8 s ASN 216 N -1.50 6.35 -1.64 4.37 0.02 -0.16 -4.57 114.94 117.81 3iv8 s ASN 216 Ca 0.00 0.41 -0.09 0.00 -1.02 0.00 0.00 52.86 52.16 3iv8 s ASN 216 Cb 0.00 -2.10 0.09 0.00 0.02 0.00 0.00 41.25 39.26 3iv8 s ASN 216 CO 0.00 0.30 0.35 0.00 0.02 0.00 0.00 177.10 177.77 3iv8 n ALA 217 N 2.63 -1.68 -2.37 0.60 0.00 -1.26 -4.60 120.51 113.83 3iv8 n ALA 217 Ca -0.18 -0.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.89 3iv8 n ALA 217 Cb 0.54 -1.77 -0.09 0.00 0.00 0.00 0.00 19.45 18.13 3iv8 n ALA 217 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3iv8 s MET 218 N -7.14 1.04 -0.11 0.00 0.23 -1.26 -1.79 119.30 110.27 3iv8 s MET 218 Ca 0.34 -1.35 -0.30 0.00 -1.03 0.00 0.00 55.69 53.35 3iv8 s MET 218 Cb -0.19 0.30 -0.02 0.00 -1.53 0.00 0.00 34.83 33.38 3iv8 s MET 218 CO 0.98 -0.33 1.26 -0.08 -2.03 0.00 0.00 175.02 174.81 3iv8 s THR 219 N -4.03 4.22 0.69 3.16 -1.32 -1.19 -4.94 115.64 112.23 3iv8 s THR 219 Ca 0.22 1.51 -0.07 0.00 -1.21 0.00 0.00 61.69 62.14 3iv8 s THR 219 Cb 0.06 -3.97 0.15 0.00 -1.51 0.00 0.00 72.50 67.22 3iv8 s THR 219 CO 0.02 -0.08 0.94 -0.81 -2.21 0.00 0.00 174.62 172.49 3iv8 n PRO 220 N 6.01 -0.54 -3.22 7.08 -0.04 -1.26 -0.45 135.00 142.57 3iv8 n PRO 220 Ca 0.13 -1.90 -0.44 0.00 -0.04 0.00 0.00 63.50 61.25 3iv8 n PRO 220 Cb 0.45 -0.84 -0.06 0.00 -0.04 0.00 0.00 33.50 33.02 3iv8 n PRO 220 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3iv8 s MET 221 N -4.98 3.05 0.25 0.54 1.75 -1.24 -3.79 119.30 114.88 3iv8 s MET 221 Ca 0.57 -1.23 0.10 0.00 -1.25 0.00 0.00 55.69 53.89 3iv8 s MET 221 Cb -0.02 -4.18 -0.05 0.00 2.84 0.00 0.00 34.83 33.42 3iv8 s MET 221 CO 0.39 -1.27 -0.11 0.14 -0.65 0.00 0.00 175.02 173.52 3iv8 s VAL 222 N 2.25 2.97 0.13 10.11 -7.23 -0.71 -4.98 120.40 122.94 3iv8 s VAL 222 Ca 0.10 -2.06 -0.13 0.00 -1.81 0.00 0.00 61.98 58.08 3iv8 s VAL 222 Cb -0.23 -2.55 0.09 0.00 0.56 0.00 0.00 36.38 34.26 3iv8 s VAL 222 CO 0.08 -0.32 0.94 0.61 -0.31 0.00 0.00 175.10 176.09 3iv8 n GLY 223 N -0.55 -1.33 0.86 2.32 0.00 -1.26 -0.18 105.19 105.04 3iv8 n GLY 223 Ca -0.07 0.69 0.12 0.00 0.00 0.00 0.00 46.02 46.76 3iv8 n GLY 223 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3iv8 n ARG 224 N -4.85 2.15 -3.31 1.61 1.74 -1.26 -4.76 116.66 107.98 3iv8 n ARG 224 Ca 0.05 -1.70 -0.19 0.00 -0.77 0.00 0.00 57.85 55.23 3iv8 n ARG 224 Cb 0.22 -1.47 -0.08 0.00 -1.02 0.00 0.00 32.46 30.11 3iv8 n ARG 224 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 3iv8 s GLU 225 N -1.81 0.75 0.58 5.56 8.01 0.75 -5.01 118.70 127.53 3iv8 s GLU 225 Ca 0.34 -1.27 0.28 0.00 0.01 0.00 0.00 54.97 54.33 3iv8 s GLU 225 Cb 0.21 -0.89 1.62 0.00 -4.31 0.00 0.00 34.13 30.75 3iv8 s GLU 225 CO 0.30 -1.26 2.09 -1.35 0.01 0.00 0.00 175.26 175.05 3iv8 h PRO 226 N 6.44 0.00 0.00 0.39 0.11 -1.84 -1.88 132.00 135.22 3iv8 h PRO 226 Ca 0.11 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.22 3iv8 h PRO 226 Cb 1.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.12 3iv8 h PRO 226 CO 0.23 0.00 0.00 0.41 -0.21 0.00 0.00 178.00 178.43 3iv8 n GLY 227 N -1.43 0.42 0.17 -0.55 0.00 -1.25 -0.96 105.19 101.60 3iv8 n GLY 227 Ca 0.02 -0.92 -0.18 0.00 0.00 0.00 0.00 46.02 44.94 3iv8 n GLY 227 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3iv8 h VAL 228 N 0.00 1.36 -0.68 1.61 2.07 -0.90 -1.50 116.25 118.22 3iv8 h VAL 228 Ca 0.00 -2.02 0.05 0.00 0.82 0.00 0.00 66.70 65.55 3iv8 h VAL 228 Cb 0.00 2.35 -0.05 0.00 -1.52 0.00 0.00 31.29 32.06 3iv8 h VAL 228 CO 0.00 0.61 0.39 0.58 0.02 0.00 0.00 177.57 179.17 3iv8 h VAL 229 N 0.16 0.99 -0.37 2.57 2.07 -1.57 0.72 116.25 120.82 3iv8 h VAL 229 Ca -0.07 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 3iv8 h VAL 229 Cb 1.36 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 31.32 3iv8 h VAL 229 CO 0.14 0.13 0.16 1.23 0.02 0.00 0.00 177.57 179.25 3iv8 h GLY 230 N 0.72 0.58 1.08 2.17 0.00 -1.02 -2.00 103.07 104.60 3iv8 h GLY 230 Ca 0.30 -0.30 -0.04 0.00 0.00 0.00 0.00 47.33 47.29 3iv8 h GLY 230 CO -0.17 0.28 0.33 0.00 0.00 0.00 0.00 176.54 176.99 3iv8 h ALA 231 N 1.01 1.09 -0.76 3.60 0.00 -0.29 -1.45 119.26 122.46 3iv8 h ALA 231 Ca 0.12 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.80 3iv8 h ALA 231 Cb 0.15 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.60 3iv8 h ALA 231 CO -0.01 0.66 0.28 0.82 0.00 0.00 0.00 179.25 180.99 3iv8 h ILE 232 N 1.15 1.26 -0.06 0.00 2.04 -0.74 -2.28 117.51 118.87 3iv8 h ILE 232 Ca 0.27 -0.85 -0.04 0.00 1.00 0.00 0.00 64.86 65.23 3iv8 h ILE 232 Cb 0.19 0.38 -0.01 0.00 -0.74 0.00 0.00 36.82 36.64 3iv8 h ILE 232 CO -0.03 0.34 -0.17 1.88 0.00 0.00 0.00 178.15 180.17 3iv8 h TYR 233 N 1.11 0.09 -0.18 1.37 0.99 -0.89 -3.02 116.97 116.45 3iv8 h TYR 233 Ca 0.25 -0.01 0.00 0.00 2.00 0.00 0.00 58.73 60.97 3iv8 h TYR 233 Cb 0.25 -0.03 0.00 0.00 1.00 0.00 0.00 36.73 37.95 3iv8 h TYR 233 CO 0.02 0.26 0.00 -3.47 -0.00 0.00 0.00 178.16 174.97 3iv8 n ASP 234 N -4.29 2.66 -4.03 3.88 2.03 -0.59 -4.86 116.55 111.35 3iv8 n ASP 234 Ca -0.02 -1.86 -0.31 0.00 0.52 0.00 0.00 54.79 53.12 3iv8 n ASP 234 Cb 0.26 -0.11 -0.16 0.00 -0.72 0.00 0.00 41.12 40.40 3iv8 n ASP 234 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 3iv8 s THR 235 N -1.78 1.88 0.26 5.18 2.01 -0.90 -5.01 115.64 117.27 3iv8 s THR 235 Ca 0.34 -1.26 -0.04 0.00 0.31 0.00 0.00 61.69 61.03 3iv8 s THR 235 Cb 0.21 -1.96 0.26 0.00 0.01 0.00 0.00 72.50 71.02 3iv8 s THR 235 CO 0.30 0.11 1.90 -0.65 -0.69 0.00 0.00 174.62 175.59 3iv8 h PRO 236 N 7.89 1.21 0.00 4.92 0.11 -1.89 -3.08 132.00 141.16 3iv8 h PRO 236 Ca -0.26 -0.07 -0.00 0.00 0.11 0.00 0.00 66.00 65.78 3iv8 h PRO 236 Cb 1.08 -0.27 -0.00 0.00 0.11 0.00 0.00 31.00 31.92 3iv8 h PRO 236 CO 0.48 0.80 -0.01 0.93 -0.21 0.00 0.00 178.00 179.99 3iv8 h GLU 237 N 1.24 0.00 -5.40 1.05 3.07 -1.95 -3.45 114.58 109.15 3iv8 h GLU 237 Ca 0.40 0.00 -0.62 0.00 -0.50 0.00 0.00 59.36 58.65 3iv8 h GLU 237 Cb 0.02 0.00 -0.12 0.00 -0.84 0.00 0.00 28.75 27.81 3iv8 h GLU 237 CO -0.13 0.01 0.04 0.08 -1.40 0.00 0.00 179.01 177.61 3iv8 s VAL 238 N -3.78 5.04 0.56 3.13 1.01 -1.17 -4.84 120.40 120.35 3iv8 s VAL 238 Ca -0.00 0.94 -0.16 0.00 0.00 0.00 0.00 61.98 62.75 3iv8 s VAL 238 Cb 0.10 -3.87 -0.06 0.00 0.00 0.00 0.00 36.38 32.55 3iv8 s VAL 238 CO 0.52 0.05 1.02 -0.31 0.00 0.00 0.00 175.10 176.38 3iv8 s TYR 239 N 2.38 3.20 -0.06 5.22 2.02 -0.08 -4.89 117.35 125.14 3iv8 s TYR 239 Ca 0.23 1.49 0.02 0.00 -0.37 0.00 0.00 57.07 58.43 3iv8 s TYR 239 Cb -0.16 -2.91 0.02 0.00 -0.40 0.00 0.00 41.96 38.51 3iv8 s TYR 239 CO 0.09 -0.77 -0.10 0.00 -1.57 0.00 0.00 175.55 173.20 3iv8 s ALA 240 N -2.53 1.12 0.33 3.71 0.00 -0.21 -0.04 121.76 124.13 3iv8 s ALA 240 Ca 0.61 -0.33 -0.22 0.00 0.00 0.00 0.00 51.96 52.03 3iv8 s ALA 240 Cb -0.13 -0.56 -0.10 0.00 0.00 0.00 0.00 23.12 22.34 3iv8 s ALA 240 CO 0.34 0.04 0.87 0.20 0.00 0.00 0.00 175.76 177.21 3iv8 s GLY 241 N 0.80 2.58 -0.02 0.00 0.00 -0.58 -0.92 107.32 109.18 3iv8 s GLY 241 Ca -0.12 0.34 -0.06 0.00 0.00 0.00 0.00 44.72 44.88 3iv8 s GLY 241 CO 0.02 0.68 0.14 -1.50 0.00 0.00 0.00 173.10 172.44 3iv8 s ILE 242 N -1.80 0.05 -0.31 0.90 2.07 0.97 -0.38 121.20 122.70 3iv8 s ILE 242 Ca 0.52 -0.39 -0.10 0.00 -1.41 0.00 0.00 60.65 59.27 3iv8 s ILE 242 Cb -0.14 -0.33 -0.01 0.00 0.13 0.00 0.00 42.46 42.10 3iv8 s ILE 242 CO 0.19 -0.21 0.16 -0.63 -1.91 0.00 0.00 174.94 172.54 3iv8 s ILE 243 N -0.72 4.74 -0.82 2.00 1.01 -1.26 -2.26 121.20 123.89 3iv8 s ILE 243 Ca -0.08 -0.32 0.02 0.00 0.00 0.00 0.00 60.65 60.27 3iv8 s ILE 243 Cb -0.05 -3.39 0.33 0.00 0.01 0.00 0.00 42.46 39.36 3iv8 s ILE 243 CO 0.01 0.09 1.43 0.00 0.00 0.00 0.00 174.94 176.48 3iv8 n ALA 244 N 5.00 5.46 0.69 9.38 0.00 -1.26 -4.25 120.51 135.53 3iv8 n ALA 244 Ca -0.14 -4.65 0.10 0.00 0.00 0.00 0.00 53.44 48.76 3iv8 n ALA 244 Cb 0.50 -1.53 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 3iv8 n ALA 244 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 3iv8 n ASP 245 N -0.15 0.69 0.00 0.00 5.75 -1.26 -4.63 116.55 116.95 3iv8 n ASP 245 Ca 0.40 -0.68 0.00 0.00 -0.01 0.00 0.00 54.79 54.50 3iv8 n ASP 245 Cb 0.32 1.28 0.00 0.00 -1.03 0.00 0.00 41.12 41.69 3iv8 n ASP 245 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3iv8 n GLY 246 N 1.43 0.71 0.10 6.12 0.00 -1.26 -4.86 105.19 107.43 3iv8 n GLY 246 Ca 0.02 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 3iv8 n GLY 246 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 3iv8 n PHE 247 N -2.00 0.00 0.03 1.61 3.72 -1.26 -4.72 117.46 114.85 3iv8 n PHE 247 Ca 0.00 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.28 3iv8 n PHE 247 Cb 0.00 -0.51 0.00 0.00 -0.94 0.00 0.00 39.48 38.04 3iv8 n PHE 247 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 3iv8 h HIS 248 N -0.04 0.69 -3.31 1.38 3.86 -1.89 -3.44 115.15 112.40 3iv8 h HIS 248 Ca -0.30 -0.30 -0.25 0.00 -1.16 0.00 0.00 60.37 58.36 3iv8 h HIS 248 Cb 1.45 -0.11 -0.32 0.00 1.06 0.00 0.00 27.41 29.49 3iv8 h HIS 248 CO 0.01 1.08 -0.61 0.08 0.86 0.00 0.00 177.93 179.35 3iv8 s VAL 249 N -3.65 -0.05 0.35 2.45 1.01 -1.26 -4.89 120.40 114.36 3iv8 s VAL 249 Ca -0.07 0.17 -0.28 0.00 0.00 0.00 0.00 61.98 61.80 3iv8 s VAL 249 Cb 0.10 -0.21 -0.12 0.00 0.00 0.00 0.00 36.38 36.15 3iv8 s VAL 249 CO 0.86 0.07 1.28 -0.67 0.00 0.00 0.00 175.10 176.63 3iv8 n ASP 250 N 4.10 2.69 -0.21 3.32 -0.08 -1.26 -4.31 116.55 120.80 3iv8 n ASP 250 Ca -0.25 1.20 -0.04 0.00 -1.51 0.00 0.00 54.79 54.19 3iv8 n ASP 250 Cb 0.52 -1.48 0.15 0.00 2.34 0.00 0.00 41.12 42.65 3iv8 n ASP 250 CO 0.00 0.00 0.00 1.88 0.12 0.00 0.00 177.20 179.20 3iv8 h TYR 251 N 2.48 1.01 -0.57 -0.67 0.05 -1.93 -0.17 116.97 117.18 3iv8 h TYR 251 Ca -0.46 -0.07 0.06 0.00 0.05 0.00 0.00 58.73 58.30 3iv8 h TYR 251 Cb 1.29 -0.30 -0.03 0.00 1.01 0.00 0.00 36.73 38.69 3iv8 h TYR 251 CO 0.50 0.79 0.38 0.00 -1.05 0.00 0.00 178.16 178.78 3iv8 h ALA 252 N 1.29 1.83 0.00 3.88 0.00 -1.91 -0.69 119.26 123.66 3iv8 h ALA 252 Ca 0.22 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 3iv8 h ALA 252 Cb 0.22 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 3iv8 h ALA 252 CO -0.02 0.08 -0.38 -0.91 0.00 0.00 0.00 179.25 178.02 3iv8 h ASN 253 N 0.55 0.00 -0.04 0.00 2.35 -1.39 -1.68 115.58 115.36 3iv8 h ASN 253 Ca 0.25 0.00 -0.24 0.00 -0.55 0.00 0.00 56.30 55.75 3iv8 h ASN 253 Cb 0.27 0.00 0.02 0.00 0.05 0.00 0.00 38.32 38.65 3iv8 h ASN 253 CO -0.07 0.38 -0.92 0.40 -1.65 0.00 0.00 177.43 175.58 3iv8 h ILE 254 N 0.00 1.29 -0.19 2.81 2.04 -1.06 -1.88 117.51 120.52 3iv8 h ILE 254 Ca -0.00 -2.14 0.03 0.00 1.00 0.00 0.00 64.86 63.74 3iv8 h ILE 254 Cb 0.73 2.29 -0.03 0.00 -0.74 0.00 0.00 36.82 39.07 3iv8 h ILE 254 CO 0.05 0.66 0.03 -0.09 0.00 0.00 0.00 178.15 178.80 3iv8 h ARG 255 N 0.38 0.10 -0.84 2.37 2.43 -1.07 -0.35 114.38 117.40 3iv8 h ARG 255 Ca -0.10 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.07 3iv8 h ARG 255 Cb 1.57 -0.02 -0.04 0.00 -0.42 0.00 0.00 29.97 31.05 3iv8 h ARG 255 CO 0.18 0.07 0.56 0.82 -1.51 0.00 0.00 179.97 180.09 3iv8 h ILE 256 N 0.11 1.20 -0.18 1.20 2.04 -1.27 -2.48 117.51 118.13 3iv8 h ILE 256 Ca 0.09 -0.39 -0.11 0.00 1.00 0.00 0.00 64.86 65.45 3iv8 h ILE 256 Cb 0.09 -0.03 -0.01 0.00 -0.74 0.00 0.00 36.82 36.13 3iv8 h ILE 256 CO -0.12 0.21 -0.39 0.00 0.00 0.00 0.00 178.15 177.85 3iv8 h ALA 257 N 1.32 1.01 -0.47 1.87 0.00 -0.69 -2.34 119.26 119.95 3iv8 h ALA 257 Ca 0.31 -0.41 -0.08 0.00 0.00 0.00 0.00 54.91 54.73 3iv8 h ALA 257 Cb -0.11 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 3iv8 h ALA 257 CO -0.07 0.61 -0.01 1.25 0.00 0.00 0.00 179.25 181.03 3iv8 h HIS 258 N 0.33 0.92 -0.14 0.00 -0.00 -0.79 0.12 115.15 115.59 3iv8 h HIS 258 Ca 0.03 -0.16 -0.02 0.00 -0.00 0.00 0.00 60.37 60.22 3iv8 h HIS 258 Cb 0.83 -0.24 -0.01 0.00 -0.00 0.00 0.00 27.41 27.99 3iv8 h HIS 258 CO 0.02 0.88 -0.01 0.87 -0.00 0.00 0.00 177.93 179.70 3iv8 h LYS 259 N 0.70 0.20 0.13 5.26 1.57 -1.06 0.80 116.57 124.17 3iv8 h LYS 259 Ca 0.13 -0.03 -0.29 0.00 -1.87 0.00 0.00 60.65 58.60 3iv8 h LYS 259 Cb 0.52 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.79 3iv8 h LYS 259 CO 0.03 0.23 -1.36 0.82 -0.57 0.00 0.00 179.45 178.60 3iv8 h ILE 260 N 0.20 1.37 0.00 1.86 2.04 -0.90 -3.40 117.51 118.67 3iv8 h ILE 260 Ca 0.05 -2.95 -0.08 0.00 1.00 0.00 0.00 64.86 62.88 3iv8 h ILE 260 Cb 0.15 2.89 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 3iv8 h ILE 260 CO 0.00 0.86 -1.40 0.29 0.00 0.00 0.00 178.15 177.91 3iv8 n LYS 261 N -3.52 2.20 0.00 2.37 4.76 0.36 -5.04 118.16 119.29 3iv8 n LYS 261 Ca -0.12 -0.02 0.00 0.00 -2.87 0.00 0.00 58.31 55.30 3iv8 n LYS 261 Cb 1.04 -1.16 0.00 0.00 -1.84 0.00 0.00 35.03 33.07 3iv8 n LYS 261 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3iv8 n GLY 262 N 2.47 3.35 0.20 0.72 0.00 0.27 -1.90 105.19 110.31 3iv8 n GLY 262 Ca -0.08 0.25 0.11 0.00 0.00 0.00 0.00 46.02 46.31 3iv8 n GLY 262 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3iv8 h GLU 263 N 0.00 0.00 -0.03 1.61 5.08 -1.96 -1.36 114.58 117.92 3iv8 h GLU 263 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3iv8 h GLU 263 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3iv8 h GLU 263 CO 0.00 0.00 -0.07 1.63 -1.00 0.00 0.00 179.01 179.57 3iv8 n LYS 264 N -2.32 2.09 -3.57 2.33 4.76 -0.80 -4.80 118.16 115.85 3iv8 n LYS 264 Ca -0.01 -1.69 -0.37 0.00 -2.87 0.00 0.00 58.31 53.36 3iv8 n LYS 264 Cb 0.18 -1.46 -0.10 0.00 -1.84 0.00 0.00 35.03 31.81 3iv8 n LYS 264 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3iv8 s LEU 265 N -2.08 4.09 -0.09 -0.35 2.96 -0.52 -1.04 118.68 121.66 3iv8 s LEU 265 Ca 0.27 0.16 0.03 0.00 -0.22 0.00 0.00 54.13 54.37 3iv8 s LEU 265 Cb 0.20 -2.20 -0.02 0.00 0.50 0.00 0.00 46.19 44.67 3iv8 s LEU 265 CO 0.35 -0.01 -0.17 -0.69 -1.32 0.00 0.00 176.35 174.50 3iv8 s VAL 266 N 1.38 2.76 0.03 1.68 1.01 -0.10 -4.75 120.40 122.42 3iv8 s VAL 266 Ca 0.10 -0.80 -0.27 0.00 0.00 0.00 0.00 61.98 61.01 3iv8 s VAL 266 Cb -0.15 -2.10 -0.05 0.00 0.00 0.00 0.00 36.38 34.09 3iv8 s VAL 266 CO 0.07 0.56 0.86 -0.76 0.00 0.00 0.00 175.10 175.83 3iv8 s LEU 267 N -0.10 4.42 0.05 3.92 1.02 -0.67 -0.02 118.68 127.29 3iv8 s LEU 267 Ca -0.03 1.55 0.01 0.00 0.02 0.00 0.00 54.13 55.68 3iv8 s LEU 267 Cb -0.14 -3.39 -0.03 0.00 0.02 0.00 0.00 46.19 42.65 3iv8 s LEU 267 CO 0.04 -0.09 -0.05 0.54 0.02 0.00 0.00 176.35 176.81 3iv8 s VAL 268 N 0.35 0.34 -0.21 -1.59 0.11 -0.96 -4.64 120.40 113.80 3iv8 s VAL 268 Ca 0.44 -1.33 -0.10 0.00 -2.93 0.00 0.00 61.98 58.06 3iv8 s VAL 268 Cb -0.21 -0.87 -0.19 0.00 -1.53 0.00 0.00 36.38 33.58 3iv8 s VAL 268 CO 0.25 -0.64 0.02 0.35 -3.33 0.00 0.00 175.10 171.75 3iv8 n THR 269 N 0.96 1.59 -2.97 5.04 -2.24 -1.25 -4.39 114.28 111.03 3iv8 n THR 269 Ca -0.19 -0.42 -0.22 0.00 -2.27 0.00 0.00 64.05 60.94 3iv8 n THR 269 Cb 0.57 -1.77 0.03 0.00 -2.10 0.00 0.00 70.33 67.06 3iv8 n THR 269 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3iv8 n ASP 270 N -3.84 -6.14 -4.78 3.42 2.03 0.13 -4.70 116.55 102.67 3iv8 n ASP 270 Ca -0.41 -0.27 -0.32 0.00 0.52 0.00 0.00 54.79 54.32 3iv8 n ASP 270 Cb 0.91 -4.97 0.06 0.00 -0.72 0.00 0.00 41.12 36.40 3iv8 n ASP 270 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3iv8 s ALA 271 N -3.17 2.46 0.49 -1.67 0.00 -1.23 -4.27 121.76 114.36 3iv8 s ALA 271 Ca 0.28 0.35 0.00 0.00 0.00 0.00 0.00 51.96 52.59 3iv8 s ALA 271 Cb -0.12 -3.27 0.00 0.00 0.00 0.00 0.00 23.12 19.73 3iv8 s ALA 271 CO 0.35 -1.40 0.03 0.25 0.00 0.00 0.00 175.76 174.99 3iv8 n THR 272 N -2.91 0.00 -0.22 0.00 -2.24 0.16 -1.34 114.28 107.72 3iv8 n THR 272 Ca 0.09 -2.30 0.01 0.00 -2.27 0.00 0.00 64.05 59.58 3iv8 n THR 272 Cb 0.53 0.43 0.05 0.00 -2.10 0.00 0.00 70.33 69.23 3iv8 n THR 272 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3iv8 n ALA 273 N -1.48 0.01 0.27 6.98 0.00 -1.20 -1.68 120.51 123.41 3iv8 n ALA 273 Ca -0.20 0.62 0.16 0.00 0.00 0.00 0.00 53.44 54.02 3iv8 n ALA 273 Cb 0.62 -0.32 0.90 0.00 0.00 0.00 0.00 19.45 20.65 3iv8 n ALA 273 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 3iv8 h PRO 274 N 0.00 0.00 -6.28 0.00 0.11 -1.90 0.76 132.00 124.69 3iv8 h PRO 274 Ca 0.24 0.00 -0.60 0.00 0.11 0.00 0.00 66.00 65.75 3iv8 h PRO 274 Cb 0.39 0.00 0.02 0.00 0.11 0.00 0.00 31.00 31.51 3iv8 h PRO 274 CO -0.60 0.00 1.14 0.00 -0.21 0.00 0.00 178.00 178.33 3iv8 n ALA 275 N -2.32 1.01 -3.36 -0.75 0.00 -0.68 -1.23 120.51 113.19 3iv8 n ALA 275 Ca -0.02 0.26 -0.18 0.00 0.00 0.00 0.00 53.44 53.50 3iv8 n ALA 275 Cb 0.16 -2.54 0.07 0.00 0.00 0.00 0.00 19.45 17.14 3iv8 n ALA 275 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3iv8 n GLY 276 N 4.49 -0.29 3.39 0.00 0.00 -1.26 -0.16 105.19 111.35 3iv8 n GLY 276 Ca 0.23 0.08 -0.14 0.00 0.00 0.00 0.00 46.02 46.19 3iv8 n GLY 276 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3iv8 s ALA 277 N -3.28 -1.32 -0.47 4.61 0.00 -0.36 -4.02 121.76 116.92 3iv8 s ALA 277 Ca 0.34 0.56 -0.18 0.00 0.00 0.00 0.00 51.96 52.69 3iv8 s ALA 277 Cb -0.15 0.41 0.05 0.00 0.00 0.00 0.00 23.12 23.43 3iv8 s ALA 277 CO 0.62 -0.52 0.51 -1.21 0.00 0.00 0.00 175.76 175.15 3iv8 s GLU 278 N -2.55 3.08 0.12 0.00 2.02 -1.26 -4.88 118.70 115.23 3iv8 s GLU 278 Ca -0.05 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.00 3iv8 s GLU 278 Cb -0.01 -4.06 -0.04 0.00 0.10 0.00 0.00 34.13 30.12 3iv8 s GLU 278 CO -0.03 -1.04 -0.01 -1.64 0.02 0.00 0.00 175.26 172.56 3iv8 s MET 279 N 2.22 0.90 0.00 1.61 -1.94 -1.26 -5.04 119.30 115.79 3iv8 s MET 279 Ca 0.12 -1.40 0.02 0.00 -1.71 0.00 0.00 55.69 52.71 3iv8 s MET 279 Cb -0.20 -0.04 0.02 0.00 2.01 0.00 0.00 34.83 36.62 3iv8 s MET 279 CO 0.11 -0.13 0.63 -0.40 -0.01 0.00 0.00 175.02 175.22 3iv8 n ASP 280 N -0.09 1.29 -3.61 3.03 3.85 -1.26 -4.73 116.55 115.03 3iv8 n ASP 280 Ca -0.09 -1.21 -0.01 0.00 -0.71 0.00 0.00 54.79 52.78 3iv8 n ASP 280 Cb 0.62 -0.01 -0.01 0.00 -1.35 0.00 0.00 41.12 40.37 3iv8 n ASP 280 CO 0.00 0.00 0.00 -0.72 -1.01 0.00 0.00 177.20 175.47 3iv8 s TYR 281 N -0.27 -0.04 -0.05 2.11 1.13 -1.26 -1.64 117.35 117.33 3iv8 s TYR 281 Ca 0.02 0.01 -0.08 0.00 -1.41 0.00 0.00 57.07 55.61 3iv8 s TYR 281 Cb 0.02 0.51 0.02 0.00 -1.10 0.00 0.00 41.96 41.40 3iv8 s TYR 281 CO 0.02 -0.09 0.21 -0.59 -2.51 0.00 0.00 175.55 172.59 3iv8 s PHE 282 N -2.17 -0.16 0.01 -3.49 -0.12 -0.24 -4.92 117.98 106.89 3iv8 s PHE 282 Ca 0.12 0.36 -0.22 0.00 -0.05 0.00 0.00 56.93 57.15 3iv8 s PHE 282 Cb 0.02 0.05 -0.05 0.00 -0.63 0.00 0.00 43.02 42.41 3iv8 s PHE 282 CO -0.04 -0.19 0.65 0.42 -0.05 0.00 0.00 175.22 176.00 3iv8 s ILE 283 N -0.44 4.86 -0.16 -4.49 1.01 -1.26 -0.94 121.20 119.77 3iv8 s ILE 283 Ca -0.05 1.36 -0.03 0.00 0.00 0.00 0.00 60.65 61.93 3iv8 s ILE 283 Cb -0.04 -3.99 0.05 0.00 0.01 0.00 0.00 42.46 38.50 3iv8 s ILE 283 CO 0.01 0.40 0.05 0.12 0.00 0.00 0.00 174.94 175.52 3iv8 s PHE 284 N -0.13 0.69 -1.37 3.97 5.36 0.89 -4.88 117.98 122.52 3iv8 s PHE 284 Ca 0.33 -0.55 -0.17 0.00 -0.96 0.00 0.00 56.93 55.58 3iv8 s PHE 284 Cb -0.19 -0.87 0.02 0.00 -0.34 0.00 0.00 43.02 41.64 3iv8 s PHE 284 CO 0.19 -0.52 0.38 1.33 -1.46 0.00 0.00 175.22 175.14 3iv8 n VAL 285 N 5.14 -2.19 0.00 3.12 0.24 -1.26 -2.61 118.33 120.77 3iv8 n VAL 285 Ca -0.08 -0.57 0.00 0.00 -2.04 0.00 0.00 64.34 61.65 3iv8 n VAL 285 Cb 0.48 -1.88 0.00 0.00 -1.47 0.00 0.00 33.84 30.97 3iv8 n VAL 285 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3iv8 n GLY 286 N -2.28 2.72 3.78 7.63 0.00 -1.26 -5.03 105.19 110.75 3iv8 n GLY 286 Ca -0.22 -0.67 -0.39 0.00 0.00 0.00 0.00 46.02 44.74 3iv8 n GLY 286 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iv8 s LYS 287 N 0.00 4.45 -0.17 1.61 -2.85 -1.07 -5.03 119.74 116.67 3iv8 s LYS 287 Ca 0.00 1.01 -0.11 0.00 -1.00 0.00 0.00 55.97 55.87 3iv8 s LYS 287 Cb 0.00 -3.28 -0.05 0.00 -2.06 0.00 0.00 37.83 32.45 3iv8 s LYS 287 CO 0.00 0.53 0.18 0.21 0.10 0.00 0.00 175.35 176.38 3iv8 s LYS 288 N -0.91 4.08 -0.09 1.78 2.20 -1.26 -0.08 119.74 125.46 3iv8 s LYS 288 Ca 0.34 -0.10 0.03 0.00 -0.36 0.00 0.00 55.97 55.88 3iv8 s LYS 288 Cb -0.21 -3.38 0.01 0.00 -1.51 0.00 0.00 37.83 32.74 3iv8 s LYS 288 CO 0.23 0.37 -0.18 0.14 -0.36 0.00 0.00 175.35 175.56 3iv8 s VAL 289 N 0.11 1.61 0.24 4.02 -7.23 -0.12 -4.43 120.40 114.61 3iv8 s VAL 289 Ca 0.12 -0.75 -0.13 0.00 -1.81 0.00 0.00 61.98 59.41 3iv8 s VAL 289 Cb -0.12 -1.43 -0.08 0.00 0.56 0.00 0.00 36.38 35.32 3iv8 s VAL 289 CO 0.01 0.46 0.61 -0.31 -0.31 0.00 0.00 175.10 175.56 3iv8 s TYR 290 N 0.57 3.46 -0.61 2.82 2.02 0.11 -1.08 117.35 124.65 3iv8 s TYR 290 Ca -0.15 1.03 -0.08 0.00 -0.37 0.00 0.00 57.07 57.50 3iv8 s TYR 290 Cb -0.17 -2.38 0.16 0.00 -0.40 0.00 0.00 41.96 39.17 3iv8 s TYR 290 CO 0.05 0.26 0.48 -0.47 -1.57 0.00 0.00 175.55 174.29 3iv8 s TYR 291 N -1.78 3.50 -0.44 2.71 5.04 -0.65 -1.56 117.35 124.18 3iv8 s TYR 291 Ca 0.47 -2.19 -0.07 0.00 -2.44 0.00 0.00 57.07 52.84 3iv8 s TYR 291 Cb -0.12 -3.47 0.11 0.00 0.35 0.00 0.00 41.96 38.83 3iv8 s TYR 291 CO 0.20 -0.94 0.27 1.03 -1.34 0.00 0.00 175.55 174.77 3iv8 s ARG 292 N 0.59 2.31 -1.23 4.97 0.52 -0.03 -4.69 118.95 121.40 3iv8 s ARG 292 Ca 0.12 -1.74 -0.09 0.00 -0.52 0.00 0.00 55.73 53.51 3iv8 s ARG 292 Cb -0.20 -3.76 -0.01 0.00 0.52 0.00 0.00 34.95 31.49 3iv8 s ARG 292 CO -0.04 -1.11 0.72 -3.47 0.02 0.00 0.00 175.30 171.42 3iv8 n ASP 293 N 4.79 -3.26 0.00 0.23 2.03 -1.26 -1.57 116.55 117.51 3iv8 n ASP 293 Ca -0.06 -0.91 0.00 0.00 0.52 0.00 0.00 54.79 54.33 3iv8 n ASP 293 Cb 0.41 -3.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.05 3iv8 n ASP 293 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3iv8 n GLY 294 N -1.64 0.49 3.46 0.27 0.00 -1.26 -5.04 105.19 101.47 3iv8 n GLY 294 Ca -0.20 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.56 3iv8 n GLY 294 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3iv8 s LYS 295 N -0.34 1.67 -0.21 1.61 2.20 -0.61 -4.76 119.74 119.30 3iv8 s LYS 295 Ca 0.00 -1.45 -0.04 0.00 -0.36 0.00 0.00 55.97 54.12 3iv8 s LYS 295 Cb 0.00 -1.93 -0.01 0.00 -1.51 0.00 0.00 37.83 34.37 3iv8 s LYS 295 CO 0.00 0.41 -0.04 0.00 -0.36 0.00 0.00 175.35 175.36 3iv8 s VAL 297 N 1.24 0.24 0.77 0.00 -7.23 -0.60 -0.44 120.40 114.39 3iv8 s VAL 297 Ca 0.03 -0.12 -0.11 0.00 -1.81 0.00 0.00 61.98 59.97 3iv8 s VAL 297 Cb -0.14 -0.22 0.05 0.00 0.56 0.00 0.00 36.38 36.63 3iv8 s VAL 297 CO -0.01 0.07 1.08 1.51 -0.31 0.00 0.00 175.10 177.44 3iv8 s ASP 298 N -0.00 4.64 0.60 4.85 1.47 -0.74 0.09 116.67 127.58 3iv8 s ASP 298 Ca 0.00 1.58 0.22 0.00 1.18 0.00 0.00 52.55 55.53 3iv8 s ASP 298 Cb -0.02 -2.35 1.17 0.00 -0.34 0.00 0.00 42.92 41.39 3iv8 s ASP 298 CO -0.00 -1.91 1.64 -0.08 0.68 0.00 0.00 175.17 175.49 3iv8 h GLU 299 N -1.04 0.00 0.00 2.11 4.81 -1.91 0.83 114.58 119.37 3iv8 h GLU 299 Ca -0.45 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.78 3iv8 h GLU 299 Cb 1.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.62 3iv8 h GLU 299 CO 0.55 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.92 3iv8 n ASN 300 N -2.65 0.61 0.00 1.04 3.02 -1.26 -4.93 115.26 111.09 3iv8 n ASN 300 Ca -0.01 0.61 0.00 0.00 -0.03 0.00 0.00 54.58 55.14 3iv8 n ASN 300 Cb 0.48 -0.75 0.00 0.00 -0.61 0.00 0.00 39.78 38.89 3iv8 n ASN 300 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iv8 n GLY 301 N 0.55 0.73 3.79 7.41 0.00 0.29 -5.05 105.19 112.91 3iv8 n GLY 301 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.70 3iv8 n GLY 301 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3iv8 s THR 302 N -2.46 4.23 0.23 2.61 2.01 -1.25 -4.83 115.64 116.18 3iv8 s THR 302 Ca 0.00 1.69 -0.32 0.00 0.31 0.00 0.00 61.69 63.37 3iv8 s THR 302 Cb 0.00 -3.86 -0.13 0.00 0.01 0.00 0.00 72.50 68.52 3iv8 s THR 302 CO 0.00 -0.01 1.51 -0.11 -0.69 0.00 0.00 174.62 175.32 3iv8 n LEU 303 N 0.14 3.44 0.00 4.42 7.94 -1.26 -1.79 117.00 129.89 3iv8 n LEU 303 Ca 0.04 1.12 0.00 0.00 -1.11 0.00 0.00 56.01 56.06 3iv8 n LEU 303 Cb 0.51 -1.47 0.00 0.00 0.53 0.00 0.00 43.42 42.99 3iv8 n LEU 303 CO 0.42 -0.25 0.39 0.61 -1.11 0.00 0.00 177.39 177.44 3iv8 n GLY 304 N 2.59 1.04 0.00 -3.96 0.00 0.42 -4.73 105.19 100.54 3iv8 n GLY 304 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.14 3iv8 n GLY 304 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3iv8 n GLY 305 N -0.28 0.93 3.30 -0.02 0.00 -1.26 -4.89 105.19 102.97 3iv8 n GLY 305 Ca 0.00 -1.94 -0.30 0.00 0.00 0.00 0.00 46.02 43.78 3iv8 n GLY 305 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3iv8 s SER 306 N -4.00 2.92 -0.03 1.61 0.15 -1.26 -4.31 113.70 108.78 3iv8 s SER 306 Ca 0.00 -0.49 0.08 0.00 0.70 0.00 0.00 55.95 56.25 3iv8 s SER 306 Cb 0.00 -0.30 0.23 0.00 -1.71 0.00 0.00 66.02 64.24 3iv8 s SER 306 CO 0.00 0.28 1.19 0.00 1.20 0.00 0.00 173.24 175.91 3iv8 n ALA 307 N 2.25 2.22 -1.77 5.45 0.00 -1.26 -0.67 120.51 126.73 3iv8 n ALA 307 Ca -0.16 -1.32 -0.39 0.00 0.00 0.00 0.00 53.44 51.57 3iv8 n ALA 307 Cb 0.52 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.65 3iv8 n ALA 307 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 3iv8 s LEU 308 N -1.32 4.13 0.23 0.00 2.96 -1.26 -4.33 118.68 119.09 3iv8 s LEU 308 Ca 0.18 2.67 0.08 0.00 -0.22 0.00 0.00 54.13 56.84 3iv8 s LEU 308 Cb 0.12 -3.99 -0.04 0.00 0.50 0.00 0.00 46.19 42.78 3iv8 s LEU 308 CO 0.09 -0.99 0.09 0.42 -1.32 0.00 0.00 176.35 174.64 3iv8 s THR 309 N -1.29 4.01 0.18 3.68 -4.23 -1.26 -4.61 115.64 112.12 3iv8 s THR 309 Ca 0.60 -1.52 -0.13 0.00 -1.18 0.00 0.00 61.69 59.46 3iv8 s THR 309 Cb -0.38 -3.12 0.09 0.00 1.34 0.00 0.00 72.50 70.43 3iv8 s THR 309 CO 0.48 -0.28 1.82 0.24 -0.54 0.00 0.00 174.62 176.34 3iv8 h MET 310 N 1.95 0.81 0.00 3.99 0.00 -1.95 -0.82 114.93 118.91 3iv8 h MET 310 Ca -0.47 -0.07 -0.01 0.00 0.00 0.00 0.00 59.70 59.15 3iv8 h MET 310 Cb 1.23 -0.17 -0.00 0.00 0.00 0.00 0.00 31.60 32.66 3iv8 h MET 310 CO 0.60 0.58 -0.04 0.97 0.00 0.00 0.00 176.91 179.03 3iv8 h ILE 311 N 0.80 0.90 0.21 -1.22 6.09 -1.83 -1.32 117.51 121.14 3iv8 h ILE 311 Ca 0.21 -0.14 -0.32 0.00 -1.37 0.00 0.00 64.86 63.24 3iv8 h ILE 311 Cb -0.02 1.08 0.03 0.00 0.47 0.00 0.00 36.82 38.38 3iv8 h ILE 311 CO -0.04 0.04 -1.40 -0.33 -3.07 0.00 0.00 178.15 173.35 3iv8 h GLU 312 N 0.00 0.52 -0.31 2.19 5.08 -1.68 -2.25 114.58 118.13 3iv8 h GLU 312 Ca -0.00 -0.85 0.07 0.00 -1.00 0.00 0.00 59.36 57.58 3iv8 h GLU 312 Cb 0.08 0.31 -0.07 0.00 0.50 0.00 0.00 28.75 29.56 3iv8 h GLU 312 CO 0.01 1.40 -0.19 0.00 -1.00 0.00 0.00 179.01 179.22 3iv8 h ALA 313 N 0.25 0.02 -0.47 3.43 0.00 -0.57 0.26 119.26 122.18 3iv8 h ALA 313 Ca -0.23 0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.79 3iv8 h ALA 313 Cb 2.09 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 20.30 3iv8 h ALA 313 CO 0.26 -0.59 0.29 0.28 0.00 0.00 0.00 179.25 179.49 3iv8 h VAL 314 N -0.16 1.14 -0.68 0.00 2.07 -1.28 0.34 116.25 117.68 3iv8 h VAL 314 Ca 0.16 -0.31 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 3iv8 h VAL 314 Cb 0.41 0.50 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 3iv8 h VAL 314 CO -0.41 0.14 0.22 -0.61 0.02 0.00 0.00 177.57 176.93 3iv8 h GLN 315 N 0.63 1.06 -0.86 1.57 4.15 -0.81 -1.20 115.11 119.65 3iv8 h GLN 315 Ca 0.17 -0.23 -0.01 0.00 0.77 0.00 0.00 58.65 59.36 3iv8 h GLN 315 Cb -0.02 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 27.47 3iv8 h GLN 315 CO -0.03 0.91 0.50 -0.91 -1.93 0.00 0.00 178.83 177.37 3iv8 h ASN 316 N 1.00 1.04 -0.14 -0.69 2.35 -0.10 0.12 115.58 119.15 3iv8 h ASN 316 Ca 0.22 -0.07 -0.02 0.00 -0.55 0.00 0.00 56.30 55.88 3iv8 h ASN 316 Cb 0.29 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3iv8 h ASN 316 CO -0.01 0.81 -0.01 0.74 -1.65 0.00 0.00 177.43 177.31 3iv8 h THR 317 N 1.18 1.26 -0.21 2.81 2.02 -0.28 0.30 112.91 120.00 3iv8 h THR 317 Ca 0.31 -0.86 0.00 0.00 0.77 0.00 0.00 66.41 66.63 3iv8 h THR 317 Cb -0.03 1.55 -0.01 0.00 -1.74 0.00 0.00 68.15 67.92 3iv8 h THR 317 CO -0.06 0.25 0.13 0.58 0.37 0.00 0.00 175.52 176.80 3iv8 h VAL 318 N -0.01 1.05 0.00 3.16 2.07 -1.15 -1.93 116.25 119.44 3iv8 h VAL 318 Ca 0.04 -0.09 -0.21 0.00 0.82 0.00 0.00 66.70 67.26 3iv8 h VAL 318 Cb 0.39 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 30.87 3iv8 h VAL 318 CO 0.01 0.05 -1.38 -0.08 0.02 0.00 0.00 177.57 176.19 3iv8 h GLU 319 N 0.28 0.00 0.00 1.57 4.81 -0.55 -3.19 114.58 117.50 3iv8 h GLU 319 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 3iv8 h GLU 319 Cb -0.03 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.35 3iv8 h GLU 319 CO -0.02 0.44 -0.95 0.72 -0.73 0.00 0.00 179.01 178.47 3iv8 n HIS 320 N -3.02 0.00 0.09 0.92 8.25 0.10 -4.67 115.22 116.90 3iv8 n HIS 320 Ca -0.10 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.22 3iv8 n HIS 320 Cb 0.91 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.91 3iv8 n HIS 320 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 3iv8 h VAL 321 N 0.00 1.49 0.00 1.59 2.07 -1.23 -3.45 116.25 116.72 3iv8 h VAL 321 Ca 0.00 -2.91 0.00 0.00 0.82 0.00 0.00 66.70 64.61 3iv8 h VAL 321 Cb 0.95 2.79 0.00 0.00 -1.52 0.00 0.00 31.29 33.52 3iv8 h VAL 321 CO 0.00 0.85 0.00 0.61 0.02 0.00 0.00 177.57 179.05 3iv8 n GLY 322 N 1.35 1.06 3.91 2.17 0.00 -0.76 -4.73 105.19 108.20 3iv8 n GLY 322 Ca -0.07 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 3iv8 n GLY 322 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3iv8 s ILE 323 N -2.00 5.19 0.48 -0.61 1.01 -1.01 -5.01 121.20 119.25 3iv8 s ILE 323 Ca 0.00 -0.17 -0.18 0.00 0.00 0.00 0.00 60.65 60.29 3iv8 s ILE 323 Cb 0.00 -3.68 -0.09 0.00 0.01 0.00 0.00 42.46 38.70 3iv8 s ILE 323 CO 0.00 -0.07 0.97 0.00 0.00 0.00 0.00 174.94 175.84 3iv8 s ALA 324 N -1.77 3.05 0.16 9.38 0.00 -1.26 -4.00 121.76 127.32 3iv8 s ALA 324 Ca 0.40 0.27 -0.19 0.00 0.00 0.00 0.00 51.96 52.44 3iv8 s ALA 324 Cb -0.12 -3.13 0.06 0.00 0.00 0.00 0.00 23.12 19.93 3iv8 s ALA 324 CO 0.27 -0.09 1.66 1.25 0.00 0.00 0.00 175.76 178.85 3iv8 h LEU 325 N 1.32 -0.45 -1.31 0.00 5.85 -1.96 0.18 115.31 118.93 3iv8 h LEU 325 Ca -0.48 0.12 -0.02 0.00 0.84 0.00 0.00 57.88 58.34 3iv8 h LEU 325 Cb 1.18 0.26 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3iv8 h LEU 325 CO 0.61 -0.17 0.22 -2.24 -0.34 0.00 0.00 178.44 176.53 3iv8 h ASP 326 N -0.07 0.62 -0.04 1.25 2.03 -1.99 0.70 116.42 118.92 3iv8 h ASP 326 Ca 0.16 -0.06 -0.04 0.00 -0.73 0.00 0.00 57.03 56.36 3iv8 h ASP 326 Cb 0.32 -0.16 0.00 0.00 -0.83 0.00 0.00 39.33 38.66 3iv8 h ASP 326 CO -0.37 0.55 -0.15 -0.08 -1.03 0.00 0.00 179.24 178.15 3iv8 h GLU 327 N 0.69 0.17 -0.58 4.15 4.57 -1.48 -1.04 114.58 121.06 3iv8 h GLU 327 Ca 0.17 -0.13 0.09 0.00 -1.18 0.00 0.00 59.36 58.31 3iv8 h GLU 327 Cb 0.10 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 28.64 3iv8 h GLU 327 CO -0.02 0.77 0.20 0.00 -1.18 0.00 0.00 179.01 178.78 3iv8 h ALA 328 N 0.40 0.73 -0.75 2.92 0.00 -0.36 -0.95 119.26 121.25 3iv8 h ALA 328 Ca -0.01 0.09 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3iv8 h ALA 328 Cb 0.79 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 3iv8 h ALA 328 CO 0.03 -0.22 0.46 -0.07 0.00 0.00 0.00 179.25 179.45 3iv8 h LEU 329 N 0.37 0.71 -1.25 0.00 4.07 -0.78 -1.43 115.31 117.00 3iv8 h LEU 329 Ca 0.29 0.02 -0.00 0.00 0.08 0.00 0.00 57.88 58.27 3iv8 h LEU 329 Cb 0.37 -0.13 -0.03 0.00 1.08 0.00 0.00 40.66 41.94 3iv8 h LEU 329 CO -0.31 0.47 0.43 0.03 -1.08 0.00 0.00 178.44 177.98 3iv8 h ARG 330 N 0.85 0.94 0.00 1.13 3.08 -0.28 -0.22 114.38 119.88 3iv8 h ARG 330 Ca 0.32 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 60.30 3iv8 h ARG 330 Cb 0.13 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.98 3iv8 h ARG 330 CO -0.16 0.65 0.00 0.52 -1.07 0.00 0.00 179.97 179.91 3iv8 h MET 331 N 0.96 0.00 -0.02 0.04 2.86 -0.11 -0.81 114.93 117.85 3iv8 h MET 331 Ca 0.25 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.89 3iv8 h MET 331 Cb -0.05 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.61 3iv8 h MET 331 CO -0.05 0.00 -0.29 0.00 1.06 0.00 0.00 176.91 177.63 3iv8 n ALA 332 N -1.86 3.12 -1.03 6.32 0.00 -0.17 -1.67 120.51 125.21 3iv8 n ALA 332 Ca 0.01 -0.60 0.00 0.00 0.00 0.00 0.00 53.44 52.86 3iv8 n ALA 332 Cb 0.23 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 19.03 3iv8 n ALA 332 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iv8 n THR 333 N 0.20 0.00 -0.17 0.00 -2.24 -0.76 -0.87 114.28 110.44 3iv8 n THR 333 Ca 0.08 0.00 -0.07 0.00 -2.27 0.00 0.00 64.05 61.79 3iv8 n THR 333 Cb 0.41 -0.06 0.02 0.00 -2.10 0.00 0.00 70.33 68.60 3iv8 n THR 333 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 3iv8 h LEU 334 N 0.00 0.58 0.42 3.22 5.85 -1.31 -1.29 115.31 122.78 3iv8 h LEU 334 Ca 0.00 -0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 3iv8 h LEU 334 Cb 0.00 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 40.89 3iv8 h LEU 334 CO 0.00 0.42 -0.20 1.88 -0.34 0.00 0.00 178.44 180.20 3iv8 h TYR 335 N 0.68 -0.52 -0.75 1.25 0.05 -1.45 -0.21 116.97 116.02 3iv8 h TYR 335 Ca 0.18 -0.01 0.14 0.00 0.05 0.00 0.00 58.73 59.09 3iv8 h TYR 335 Cb -0.08 0.17 -0.09 0.00 1.01 0.00 0.00 36.73 37.74 3iv8 h TYR 335 CO -0.04 -0.22 0.31 -1.00 -1.05 0.00 0.00 178.16 176.16 3iv8 h PRO 336 N -0.78 0.45 -0.42 4.88 0.13 -1.77 -0.04 132.00 134.45 3iv8 h PRO 336 Ca -0.06 -0.03 0.07 0.00 -0.87 0.00 0.00 66.00 65.12 3iv8 h PRO 336 Cb 0.53 -0.10 -0.06 0.00 0.13 0.00 0.00 31.00 31.50 3iv8 h PRO 336 CO 0.09 0.30 0.04 0.00 -0.23 0.00 0.00 178.00 178.21 3iv8 h ALA 337 N 1.54 0.42 -0.64 -0.56 0.00 -0.96 -1.75 119.26 117.31 3iv8 h ALA 337 Ca 0.41 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 55.36 3iv8 h ALA 337 Cb 0.60 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 3iv8 h ALA 337 CO -0.39 -0.36 0.13 -0.22 0.00 0.00 0.00 179.25 178.42 3iv8 h LYS 338 N 0.16 1.02 -0.73 0.00 3.64 0.31 -0.32 116.57 120.65 3iv8 h LYS 338 Ca 0.21 -0.24 -0.02 0.00 -1.27 0.00 0.00 60.65 59.33 3iv8 h LYS 338 Cb 0.28 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 3iv8 h LYS 338 CO -0.30 0.92 0.39 0.00 -2.27 0.00 0.00 179.45 178.19 3iv8 h ALA 339 N 1.17 0.93 -0.15 5.00 0.00 -0.19 -2.00 119.26 124.03 3iv8 h ALA 339 Ca 0.20 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3iv8 h ALA 339 Cb 0.37 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3iv8 h ALA 339 CO 0.00 0.45 0.00 0.44 0.00 0.00 0.00 179.25 180.15 3iv8 n ILE 340 N -4.47 0.18 -2.88 0.00 -5.35 -0.93 -4.97 119.36 100.94 3iv8 n ILE 340 Ca 0.06 -0.38 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 3iv8 n ILE 340 Cb 0.10 0.54 0.03 0.00 -1.74 0.00 0.00 39.64 38.57 3iv8 n ILE 340 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3iv8 n GLY 341 N 1.20 0.30 0.33 3.28 0.00 -0.75 -4.97 105.19 104.58 3iv8 n GLY 341 Ca 0.17 -0.29 0.06 0.00 0.00 0.00 0.00 46.02 45.96 3iv8 n GLY 341 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3iv8 n VAL 342 N -3.29 1.55 0.24 1.61 0.24 -0.19 -4.75 118.33 113.74 3iv8 n VAL 342 Ca -0.02 -1.58 0.10 0.00 -2.04 0.00 0.00 64.34 60.80 3iv8 n VAL 342 Cb 0.53 0.11 0.62 0.00 -1.47 0.00 0.00 33.84 33.64 3iv8 n VAL 342 CO 0.00 0.00 0.00 -2.24 -2.14 0.00 0.00 176.83 172.45 3iv8 h ASP 343 N 0.75 0.00 -0.94 -1.34 3.04 -1.71 -1.06 116.42 115.17 3iv8 h ASP 343 Ca 0.00 0.00 0.25 0.00 -3.24 0.00 0.00 57.03 54.04 3iv8 h ASP 343 Cb 0.90 0.00 -0.13 0.00 -1.04 0.00 0.00 39.33 39.05 3iv8 h ASP 343 CO 0.05 0.17 0.43 1.05 -2.04 0.00 0.00 179.24 178.90 3iv8 h GLU 344 N 0.00 0.35 0.00 4.15 -0.00 -1.93 -3.25 114.58 113.91 3iv8 h GLU 344 Ca -0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 3iv8 h GLU 344 Cb 0.40 -0.08 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 3iv8 h GLU 344 CO 0.02 0.23 -1.12 0.36 -0.00 0.00 0.00 179.01 178.51 3iv8 n LYS 345 N -5.06 1.00 -3.87 1.06 2.85 -0.68 -4.82 118.16 108.65 3iv8 n LYS 345 Ca 0.25 -0.05 -0.10 0.00 -1.05 0.00 0.00 58.31 57.36 3iv8 n LYS 345 Cb 0.76 -1.09 -0.08 0.00 -0.65 0.00 0.00 35.03 33.96 3iv8 n LYS 345 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 3iv8 s LEU 346 N -3.25 1.50 0.00 -5.58 1.43 -0.49 -1.30 118.68 111.00 3iv8 s LEU 346 Ca -0.02 -0.47 0.00 0.00 -1.03 0.00 0.00 54.13 52.62 3iv8 s LEU 346 Cb 0.04 0.87 0.00 0.00 0.03 0.00 0.00 46.19 47.13 3iv8 s LEU 346 CO 0.26 -0.57 0.00 0.61 0.23 0.00 0.00 176.35 176.88 3iv8 n GLY 347 N 0.57 1.14 3.64 -3.19 0.00 -1.26 -4.10 105.19 101.98 3iv8 n GLY 347 Ca -0.18 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 45.72 3iv8 n GLY 347 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3iv8 s ARG 348 N -0.17 0.61 -0.78 1.61 3.52 -1.26 -2.95 118.95 119.52 3iv8 s ARG 348 Ca 0.00 0.73 -0.15 0.00 -0.13 0.00 0.00 55.73 56.18 3iv8 s ARG 348 Cb 0.00 0.29 0.19 0.00 -1.56 0.00 0.00 34.95 33.87 3iv8 s ARG 348 CO 0.00 -0.07 0.77 0.42 -0.81 0.00 0.00 175.30 175.60 3iv8 s ILE 349 N 0.30 5.39 -0.08 4.11 1.01 -0.53 -4.88 121.20 126.52 3iv8 s ILE 349 Ca 0.02 -2.11 -0.15 0.00 0.00 0.00 0.00 60.65 58.41 3iv8 s ILE 349 Cb -0.05 -4.49 0.03 0.00 0.01 0.00 0.00 42.46 37.96 3iv8 s ILE 349 CO -0.04 -1.07 0.37 -0.75 0.00 0.00 0.00 174.94 173.45 3iv8 s LYS 350 N 0.87 0.59 -0.07 2.79 2.20 -1.26 -4.78 119.74 120.08 3iv8 s LYS 350 Ca 0.17 0.18 -0.37 0.00 -0.36 0.00 0.00 55.97 55.59 3iv8 s LYS 350 Cb -0.13 0.27 -0.18 0.00 -1.51 0.00 0.00 37.83 36.28 3iv8 s LYS 350 CO -0.06 -0.13 1.05 1.17 -0.36 0.00 0.00 175.35 177.01 3iv8 n LYS 351 N 2.00 0.00 -0.87 4.03 4.81 -1.26 -1.87 118.16 125.01 3iv8 n LYS 351 Ca -0.17 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 3iv8 n LYS 351 Cb 0.57 -1.36 0.00 0.00 0.02 0.00 0.00 35.03 34.26 3iv8 n LYS 351 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3iv8 n GLY 352 N 1.72 0.97 3.94 3.14 0.00 -0.03 -5.00 105.19 109.93 3iv8 n GLY 352 Ca 0.20 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.96 3iv8 n GLY 352 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 3iv8 s MET 353 N -0.12 3.45 0.22 1.61 -1.94 -0.78 -4.86 119.30 116.88 3iv8 s MET 353 Ca 0.00 -0.57 -0.32 0.00 -1.71 0.00 0.00 55.69 53.09 3iv8 s MET 353 Cb 0.00 -2.95 -0.13 0.00 2.01 0.00 0.00 34.83 33.76 3iv8 s MET 353 CO 0.00 0.50 1.53 -0.89 -0.01 0.00 0.00 175.02 176.15 3iv8 n ILE 354 N -0.61 0.55 -1.55 2.53 2.08 -0.42 -0.82 119.36 121.12 3iv8 n ILE 354 Ca -0.07 -0.14 -0.42 0.00 0.56 0.00 0.00 62.75 62.69 3iv8 n ILE 354 Cb 0.54 -1.65 -0.02 0.00 -0.75 0.00 0.00 39.64 37.77 3iv8 n ILE 354 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 3iv8 n ALA 355 N 2.67 5.12 -2.64 -1.39 0.00 -0.13 -4.69 120.51 119.45 3iv8 n ALA 355 Ca 0.13 -3.69 -0.42 0.00 0.00 0.00 0.00 53.44 49.47 3iv8 n ALA 355 Cb 0.32 -3.54 -0.11 0.00 0.00 0.00 0.00 19.45 16.12 3iv8 n ALA 355 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 3iv8 s ASN 356 N 3.57 5.91 0.10 0.00 -0.87 -1.25 -2.32 114.94 120.08 3iv8 s ASN 356 Ca 0.51 -0.90 0.03 0.00 -1.57 0.00 0.00 52.86 50.92 3iv8 s ASN 356 Cb 0.14 -2.09 -0.04 0.00 -0.02 0.00 0.00 41.25 39.24 3iv8 s ASN 356 CO -0.04 -0.40 -0.08 -0.76 -2.57 0.00 0.00 177.10 173.25 3iv8 s LEU 357 N 1.62 2.45 -0.04 0.60 2.01 0.09 -1.04 118.68 124.37 3iv8 s LEU 357 Ca 0.04 -0.89 0.04 0.00 0.01 0.00 0.00 54.13 53.32 3iv8 s LEU 357 Cb -0.19 -0.20 -0.00 0.00 0.01 0.00 0.00 46.19 45.81 3iv8 s LEU 357 CO 0.08 -0.35 -0.14 -0.89 1.01 0.00 0.00 176.35 176.06 3iv8 s THR 358 N -2.95 1.20 -0.13 5.49 2.01 0.38 -0.56 115.64 121.08 3iv8 s THR 358 Ca 0.08 -0.59 -0.00 0.00 0.31 0.00 0.00 61.69 61.49 3iv8 s THR 358 Cb 0.01 -1.04 -0.01 0.00 0.01 0.00 0.00 72.50 71.46 3iv8 s THR 358 CO -0.02 0.35 -0.13 0.54 -0.69 0.00 0.00 174.62 174.67 3iv8 s VAL 359 N 0.11 3.01 0.01 3.82 0.11 -0.86 -1.56 120.40 125.05 3iv8 s VAL 359 Ca -0.04 -0.67 0.00 0.00 -2.93 0.00 0.00 61.98 58.34 3iv8 s VAL 359 Cb -0.11 -2.27 -0.01 0.00 -1.53 0.00 0.00 36.38 32.47 3iv8 s VAL 359 CO 0.02 0.52 -0.03 0.72 -3.33 0.00 0.00 175.10 173.00 3iv8 s PHE 360 N 0.43 0.23 0.64 1.54 -0.12 -0.67 -0.80 117.98 119.23 3iv8 s PHE 360 Ca -0.10 -0.30 -0.11 0.00 -0.05 0.00 0.00 56.93 56.37 3iv8 s PHE 360 Cb -0.16 -0.16 0.15 0.00 -0.63 0.00 0.00 43.02 42.22 3iv8 s PHE 360 CO 0.05 -0.10 0.84 -0.40 -0.05 0.00 0.00 175.22 175.56 3iv8 n ASP 361 N 2.22 -0.06 0.30 1.98 5.68 -0.77 0.15 116.55 126.05 3iv8 n ASP 361 Ca -0.19 -1.28 0.20 0.00 -0.50 0.00 0.00 54.79 53.02 3iv8 n ASP 361 Cb 0.57 -0.65 0.99 0.00 -1.14 0.00 0.00 41.12 40.89 3iv8 n ASP 361 CO 0.00 0.00 0.00 0.08 -1.33 0.00 0.00 177.20 175.95 3iv8 h ARG 362 N 0.00 0.00 -0.63 0.11 0.11 -1.90 -1.71 114.38 110.35 3iv8 h ARG 362 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 3iv8 h ARG 362 Cb 0.76 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.84 3iv8 h ARG 362 CO 0.19 0.00 0.00 -0.25 0.10 0.00 0.00 179.97 180.01 3iv8 n ASP 363 N -2.96 3.64 -1.64 0.08 8.00 -1.26 -4.92 116.55 117.48 3iv8 n ASP 363 Ca -0.02 -1.99 -0.17 0.00 0.71 0.00 0.00 54.79 53.32 3iv8 n ASP 363 Cb 0.14 -0.42 -0.03 0.00 -0.02 0.00 0.00 41.12 40.78 3iv8 n ASP 363 CO 0.00 0.00 0.00 0.49 -0.39 0.00 0.00 177.20 177.30 3iv8 n PHE 364 N 1.51 -0.47 -2.95 1.24 3.72 -0.64 -4.98 117.46 114.89 3iv8 n PHE 364 Ca 0.22 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.21 3iv8 n PHE 364 Cb 0.59 -3.17 -0.05 0.00 -0.94 0.00 0.00 39.48 35.91 3iv8 n PHE 364 CO 0.00 0.00 0.00 -0.80 -0.05 0.00 0.00 176.76 175.91 3iv8 s ASN 365 N -2.49 6.64 0.09 4.37 0.01 -1.26 -4.87 114.94 117.44 3iv8 s ASN 365 Ca 0.00 0.60 -0.34 0.00 -0.71 0.00 0.00 52.86 52.41 3iv8 s ASN 365 Cb 0.00 -2.40 -0.13 0.00 0.41 0.00 0.00 41.25 39.12 3iv8 s ASN 365 CO 0.00 -0.63 1.66 0.52 -1.51 0.00 0.00 177.10 177.14 3iv8 n VAL 366 N 5.58 0.16 -0.02 1.60 0.31 -1.26 -1.85 118.33 122.86 3iv8 n VAL 366 Ca 0.03 -0.03 0.06 0.00 -0.01 0.00 0.00 64.34 64.40 3iv8 n VAL 366 Cb 0.48 -1.63 -0.13 0.00 -0.91 0.00 0.00 33.84 31.66 3iv8 n VAL 366 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 3iv8 n LYS 367 N 4.32 0.62 0.00 5.55 4.76 0.02 -4.83 118.16 128.60 3iv8 n LYS 367 Ca 0.19 -0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.49 3iv8 n LYS 367 Cb 0.29 -1.39 0.00 0.00 -1.84 0.00 0.00 35.03 32.09 3iv8 n LYS 367 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3iv8 n ALA 368 N -2.13 0.00 -4.27 7.82 0.00 -1.21 -1.62 120.51 119.09 3iv8 n ALA 368 Ca -0.06 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.15 3iv8 n ALA 368 Cb 0.49 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.87 3iv8 n ALA 368 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 3iv8 n THR 369 N -0.14 0.00 -3.72 0.00 -2.24 -0.94 -2.03 114.28 105.22 3iv8 n THR 369 Ca 0.00 -2.45 -0.17 0.00 -2.27 0.00 0.00 64.05 59.16 3iv8 n THR 369 Cb 0.00 1.24 -0.16 0.00 -2.10 0.00 0.00 70.33 69.31 3iv8 n THR 369 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3iv8 s VAL 370 N -3.35 -0.10 -0.10 2.28 1.01 0.28 -1.40 120.40 119.02 3iv8 s VAL 370 Ca 0.40 0.31 0.02 0.00 0.00 0.00 0.00 61.98 62.71 3iv8 s VAL 370 Cb 0.02 -0.15 0.01 0.00 0.00 0.00 0.00 36.38 36.26 3iv8 s VAL 370 CO 0.28 0.13 -0.15 -0.69 0.00 0.00 0.00 175.10 174.67 3iv8 s VAL 371 N 1.64 1.47 -1.12 2.92 1.01 -0.51 -0.73 120.40 125.08 3iv8 s VAL 371 Ca -0.02 -0.63 -0.13 0.00 0.00 0.00 0.00 61.98 61.19 3iv8 s VAL 371 Cb -0.12 -1.34 0.13 0.00 0.00 0.00 0.00 36.38 35.04 3iv8 s VAL 371 CO -0.04 0.43 0.36 0.59 0.00 0.00 0.00 175.10 176.45 3iv8 n ASN 372 N 4.17 -1.74 0.00 3.32 3.02 -1.13 -0.62 115.26 122.27 3iv8 n ASN 372 Ca -0.19 -0.50 0.00 0.00 -0.03 0.00 0.00 54.58 53.86 3iv8 n ASN 372 Cb 0.51 -1.55 0.00 0.00 -0.61 0.00 0.00 39.78 38.13 3iv8 n ASN 372 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3iv8 n GLY 373 N -0.87 0.27 3.49 7.41 0.00 -0.98 -3.95 105.19 110.56 3iv8 n GLY 373 Ca 0.06 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 3iv8 n GLY 373 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3iv8 s GLN 374 N -0.94 3.28 -0.06 1.61 2.00 0.20 -4.90 119.66 120.86 3iv8 s GLN 374 Ca 0.00 -0.79 -0.30 0.00 -2.00 0.00 0.00 55.36 52.27 3iv8 s GLN 374 Cb 0.00 -3.85 -0.03 0.00 0.80 0.00 0.00 33.01 29.93 3iv8 s GLN 374 CO 0.00 -0.56 1.16 -0.47 -0.50 0.00 0.00 175.29 174.92 3iv8 s TYR 375 N 1.69 3.28 -0.08 1.67 6.14 -1.26 -1.43 117.35 127.37 3iv8 s TYR 375 Ca 0.05 1.31 -0.02 0.00 0.64 0.00 0.00 57.07 59.05 3iv8 s TYR 375 Cb -0.18 -3.37 0.04 0.00 0.42 0.00 0.00 41.96 38.87 3iv8 s TYR 375 CO 0.10 -1.06 0.05 -1.21 0.64 0.00 0.00 175.55 174.06 3iv8 s GLU 376 N 2.07 0.15 0.76 4.97 2.02 -0.49 -5.00 118.70 123.18 3iv8 s GLU 376 Ca 0.54 0.19 -0.13 0.00 0.02 0.00 0.00 54.97 55.60 3iv8 s GLU 376 Cb -0.24 -0.93 0.06 0.00 0.10 0.00 0.00 34.13 33.12 3iv8 s GLU 376 CO 0.22 -0.40 1.15 -0.65 0.02 0.00 0.00 175.26 175.60 3iv8 s GLN 377 N 2.10 2.07 0.00 1.61 -0.21 -1.26 -2.21 119.66 121.76 3iv8 s GLN 377 Ca 0.04 1.52 0.29 0.00 0.02 0.00 0.00 55.36 57.23 3iv8 s GLN 377 Cb -0.13 -1.85 1.24 0.00 1.00 0.00 0.00 33.01 33.27 3iv8 s GLN 377 CO -0.05 -1.84 1.85 0.09 -2.12 0.00 0.00 175.29 173.22